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BDBM50193244 CHEMBL378083::{1-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2-ylcarbamoyl]-cyclopentylamino}-acetic acid

SMILES: NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)C2(CCCC2)NCC(O)=O)cc1

InChI Key: InChIKey=HCFOEEBQYUNBBT-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193244   
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))
BDBM50193244
PNG
(CHEMBL378083 | {1-[2-(4-carbamimidoyl-benzylcarbam...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)C2(CCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C26H31N5O4/c27-22(28)18-9-7-17(8-10-18)15-29-23(34)26(13-19-5-1-2-6-20(19)14-26)31-24(35)25(11-3-4-12-25)30-16-21(32)33/h1-2,5-10,30H,3-4,11-16H2,(H3,27,28)(H,29,34)(H,31,35)(H,32,33)
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 5.30E+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))
BDBM50193244
PNG
(CHEMBL378083 | {1-[2-(4-carbamimidoyl-benzylcarbam...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)C2(CCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C26H31N5O4/c27-22(28)18-9-7-17(8-10-18)15-29-23(34)26(13-19-5-1-2-6-20(19)14-26)31-24(35)25(11-3-4-12-25)30-16-21(32)33/h1-2,5-10,30H,3-4,11-16H2,(H3,27,28)(H,29,34)(H,31,35)(H,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/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