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BDBM16159 (2R)-1-({4-chloro-1-[(diaminomethylidene)amino]isoquinoline-7-}sulfonyl)pyrrolidine-2-carboxylic acid::cyclic deriv. 33

SMILES: [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O

InChI Key: InChIKey=MWEYSFQTTAFUFL-STGVRZAANA-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 = 16159   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM16159
PNG
((2R)-1-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/s2
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AffyNet 
MMDB
PDB
Article
PubMed
9.90 -11.4n/an/an/an/an/a8.137



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


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


(Homo sapiens (human))
BDBM16159
PNG
((2R)-1-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/s2
PDB
MMDB

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antibodypedia
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PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+5>-5.67n/an/an/an/an/a8.137



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


Citation and Details
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (human))
BDBM16159
PNG
((2R)-1-({4-chloro-1-[(diaminomethylidene)amino]iso...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
Show InChI InChI=1/C15H16ClN5O4S/c16-11-7-19-13(20-15(17)18)10-6-8(3-4-9(10)11)26(24,25)21-5-1-2-12(21)14(22)23/h3-4,6-7,12H,1-2,5H2,(H,22,23)(H4,17,18,19,20)/t12-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+5>-5.67n/an/an/an/an/a8.137



Pfizer



Assay Description
Ki values for compounds were calculated by incubation of each enzyme with its substrate and various compound concentrations. Absorbance was read at 4...


Citation and Details
More data for this
Ligand-Target Pair