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BDBM13866 3-amidinobenzylindole carboxamide 50::CHEMBL307446::N,1-bis[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1H-indole-2-carboxamide

SMILES: NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1

InChI Key: InChIKey=MTIISILSXHNZMT-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 13866   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM13866
PNG
(3-amidinobenzylindole carboxamide 50 | CHEMBL30744...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
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9n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13866
PNG
(3-amidinobenzylindole carboxamide 50 | CHEMBL30744...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
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9n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13866
PNG
(3-amidinobenzylindole carboxamide 50 | CHEMBL30744...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
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3.60E+3n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13866
PNG
(3-amidinobenzylindole carboxamide 50 | CHEMBL30744...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair