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BDBM50193233 CHEMBL424901::{(R)-1-[2-(4-carbamimidoyl-benzylcarbamoyl)-5,6-dimethoxy-indan-2-ylcarbamoyl]-2-methyl-propylamino}-acetic acid

SMILES: COc1cc2CC(Cc2cc1OC)(NC(=O)[C@H](NCC(O)=O)C(C)C)C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=XILBTDJSAIAPHB-HSZRJFAPSA-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 = 50193233   
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))
BDBM50193233
PNG
(CHEMBL424901 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES COc1cc2CC(Cc2cc1OC)(NC(=O)[C@H](NCC(O)=O)C(C)C)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O6/c1-15(2)23(30-14-22(33)34)25(35)32-27(11-18-9-20(37-3)21(38-4)10-19(18)12-27)26(36)31-13-16-5-7-17(8-6-16)24(28)29/h5-10,15,23,30H,11-14H2,1-4H3,(H3,28,29)(H,31,36)(H,32,35)(H,33,34)/t23-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+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))
BDBM50193233
PNG
(CHEMBL424901 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES COc1cc2CC(Cc2cc1OC)(NC(=O)[C@H](NCC(O)=O)C(C)C)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O6/c1-15(2)23(30-14-22(33)34)25(35)32-27(11-18-9-20(37-3)21(38-4)10-19(18)12-27)26(36)31-13-16-5-7-17(8-6-16)24(28)29/h5-10,15,23,30H,11-14H2,1-4H3,(H3,28,29)(H,31,36)(H,32,35)(H,33,34)/t23-/m1/s1
PDB

UniProtKB/SwissProt

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 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