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BDBM50193239 CHEMBL213774::{(R)-1-[2-(4-carbamimidoyl-benzylcarbamoyl)-2,3-dihydro-1H-cyclopenta[b]naphthalen-2-ylcarbamoyl]-2-methyl-propylamino}-acetic acid

SMILES: CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cc3ccccc3cc2C1)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=IZYHJJYCGVXMLQ-RUZDIDTESA-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 = 50193239   
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))
BDBM50193239
PNG
(CHEMBL213774 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cc3ccccc3cc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-24(35)36)27(37)34-29(28(38)33-15-18-7-9-19(10-8-18)26(30)31)13-22-11-20-5-3-4-6-21(20)12-23(22)14-29/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.28E+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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193239
PNG
(CHEMBL213774 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cc3ccccc3cc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-24(35)36)27(37)34-29(28(38)33-15-18-7-9-19(10-8-18)26(30)31)13-22-11-20-5-3-4-6-21(20)12-23(22)14-29/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-/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