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BDBM50428472 CARBONOTRITHIOIC ACID::Carbonotrithioate

SMILES: SC(S)=S

InChI Key: InChIKey=HIZCIEIDIFGZSS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50428472   
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


(Homo sapiens (human))
BDBM50428472
PNG
(CARBONOTRITHIOIC ACID | Carbonotrithioate)
Show SMILES SC(S)=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
8.70E+3n/an/an/an/an/an/an/an/a



UniversitÓ degli Studi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy.

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK293 cells using DAG as substrate assessed as reduction in intracellula...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50428472
PNG
(CARBONOTRITHIOIC ACID | Carbonotrithioate)
Show SMILES SC(S)=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
8.80E+3n/an/an/an/an/an/an/an/a



Istituto di Biochimica delle Proteine (IBP)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50428472
PNG
(CARBONOTRITHIOIC ACID | Carbonotrithioate)
Show SMILES SC(S)=S
Show InChI InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
8.80E+3n/an/an/an/an/an/an/an/a



UniversitÓ degli Studi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate incubated for 10 mins by LC-MS analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)