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BDBM50193232 CHEMBL448732::{(R)-1-[6-(4-carbamimidoyl-benzylcarbamoyl)-6,7-dihydro-5H-[2]pyrindin-6-ylcarbamoyl]-2-methyl-propylamino}-acetic acid

SMILES: CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=ZJMYARLVRTXNSZ-CGHJUBPDSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193232   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193232
PNG
(CHEMBL448732 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(9-17-7-8-27-12-18(17)10-24)23(34)29-11-15-3-5-16(6-4-15)21(25)26/h3-8,12,14,20,28H,9-11,13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193232
PNG
(CHEMBL448732 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(9-17-7-8-27-12-18(17)10-24)23(34)29-11-15-3-5-16(6-4-15)21(25)26/h3-8,12,14,20,28H,9-11,13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/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