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BDBM50115856 2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-carboxamidine::2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE::CHEMBL64579

SMILES: NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O

InChI Key: InChIKey=CFSQPEBVGUSQII-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50115856   
Target/Host
(Institution)
LigandTarget/Host
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))
BDBM50115856
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)
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190n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of urokinase-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50115856
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)
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310n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of plasmin


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50115856
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)
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590n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of tissue-type plasminogen activator


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50115856
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)
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990n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor X


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50115856
PNG
(2-(3-Cyclopentyloxy-2-hydroxy-phenyl)-1H-indole-5-...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1O
Show InChI InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22)
PDB

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antibodypedia
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PC cid
PC sid
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PubMed
7.50E+3n/an/an/an/an/an/an/an/a



Celera

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 12: 2019-22 (2002)


BindingDB Entry DOI: 10.7270/Q237782T
More data for this
Ligand-Target Pair