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BDBM50193236 ({[2-(4-Carbamimidoyl-benzylcarbamoyl)-indan-2-ylcarbamoyl]-methyl}-amino)-acetic acid::CHEMBL214356

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

InChI Key: InChIKey=BVPNTCKMLWJKPA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193236   
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))
BDBM50193236
PNG
(({[2-(4-Carbamimidoyl-benzylcarbamoyl)-indan-2-ylc...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)CNCC(O)=O)cc1
Show InChI InChI=1S/C22H25N5O4/c23-20(24)15-7-5-14(6-8-15)11-26-21(31)22(27-18(28)12-25-13-19(29)30)9-16-3-1-2-4-17(16)10-22/h1-8,25H,9-13H2,(H3,23,24)(H,26,31)(H,27,28)(H,29,30)
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>3.30E+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))
BDBM50193236
PNG
(({[2-(4-Carbamimidoyl-benzylcarbamoyl)-indan-2-ylc...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)CNCC(O)=O)cc1
Show InChI InChI=1S/C22H25N5O4/c23-20(24)15-7-5-14(6-8-15)11-26-21(31)22(27-18(28)12-25-13-19(29)30)9-16-3-1-2-4-17(16)10-22/h1-8,25H,9-13H2,(H3,23,24)(H,26,31)(H,27,28)(H,29,30)
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