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BDBM13850 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(2,3,5-trichlorophenyl)methyl]-1H-indole-2-carboxamide::3-amidinobenzylindole carboxamide 34

SMILES: NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Cl)c1

InChI Key: InChIKey=ATSROBXXNRWKDL-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 13850   
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))
BDBM13850
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(2,...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Cl)c1
Show InChI InChI=1S/C24H19Cl3N4O2/c25-16-8-15(22(27)18(26)9-16)11-30-24(33)20-10-17-19(5-2-6-21(17)32)31(20)12-13-3-1-4-14(7-13)23(28)29/h1-10,32H,11-12H2,(H3,28,29)(H,30,33)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
99n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM13850
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(2,...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Cl)c1
Show InChI InChI=1S/C24H19Cl3N4O2/c25-16-8-15(22(27)18(26)9-16)11-30-24(33)20-10-17-19(5-2-6-21(17)32)31(20)12-13-3-1-4-14(7-13)23(28)29/h1-10,32H,11-12H2,(H3,28,29)(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
270n/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