new BindingDB logo
myBDB logout

BDBM50193234 CHEMBL211973::{(R)-1-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2-ylcarbamoyl]-2-cyclohexyl-ethylamino}-acetic acid

SMILES: NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1

InChI Key: InChIKey=UEWOKJCHBKCJBO-XMMPIXPASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50193234   
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))
BDBM50193234
PNG
(CHEMBL211973 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C29H37N5O4/c30-26(31)21-12-10-20(11-13-21)17-33-28(38)29(15-22-8-4-5-9-23(22)16-29)34-27(37)24(32-18-25(35)36)14-19-6-2-1-3-7-19/h4-5,8-13,19,24,32H,1-3,6-7,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+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
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193234
PNG
(CHEMBL211973 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C29H37N5O4/c30-26(31)21-12-10-20(11-13-21)17-33-28(38)29(15-22-8-4-5-9-23(22)16-29)34-27(37)24(32-18-25(35)36)14-19-6-2-1-3-7-19/h4-5,8-13,19,24,32H,1-3,6-7,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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