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BDBM50193225 CHEMBL424882::{(R)-1-[6-(4-carbamimidoyl-benzylcarbamoyl)-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-6-ylcarbamoyl]-2-methyl-propylamino}-acetic acid

SMILES: CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2-c2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=CVLTZWVWHRNSEJ-HHHXNRCGSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193225   
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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193225
PNG
(CHEMBL424882 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2-c2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H35N5O4/c1-19(2)27(34-18-26(37)38)29(39)36-31(30(40)35-17-20-11-13-21(14-12-20)28(32)33)15-22-7-3-5-9-24(22)25-10-6-4-8-23(25)16-31/h3-14,19,27,34H,15-18H2,1-2H3,(H3,32,33)(H,35,40)(H,36,39)(H,37,38)/t27-/m1/s1
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PubMed
n/an/a 1.27E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193225
PNG
(CHEMBL424882 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2-c2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H35N5O4/c1-19(2)27(34-18-26(37)38)29(39)36-31(30(40)35-17-20-11-13-21(14-12-20)28(32)33)15-22-7-3-5-9-24(22)25-10-6-4-8-23(25)16-31/h3-14,19,27,34H,15-18H2,1-2H3,(H3,32,33)(H,35,40)(H,36,39)(H,37,38)/t27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair