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BDBM50399075 CHEMBL2179304

SMILES: Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=BBYVQBNYXZIDGW-UHFFFAOYSA-N

Data: 15 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50399075   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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49n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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115n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
β-Carbonic anhydrase 2 (CA 2)


(Mycobacterium tuberculosis)
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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144n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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155n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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241n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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844n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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912n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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992n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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3.25E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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3.27E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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4.63E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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5.87E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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7.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA4 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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7.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50399075
PNG
(CHEMBL2179304)
Show SMILES Cc1ccc2-c3c(CSc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O2S2/c1-10-2-7-14-15-11(9-23-16(14)19-10)8-18-20(15)12-3-5-13(6-4-12)24(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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PubMed
8.14E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA6 pre-incubated for 15 mins by stopped-flow CO2 hydration method


Citation and Details
More data for this
Ligand-Target Pair