BindingDB logo
myBDB logout

BDBM50144097 2-{4-(5-Chloro-1H-indole-2-sulfonyl)-1-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-benzoyl]-piperazin-2-yl}-N-methyl-N-prop-2-ynyl-acetamide::CHEMBL64904

SMILES: CN(CC#C)C(=O)CC1CN(CCN1C(=O)c1ccc(cc1)C1=NCCN1C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=BWWMOJDZNOTWON-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50144097   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50144097
PNG
(2-{4-(5-Chloro-1H-indole-2-sulfonyl)-1-[4-(1-methy...)
Show SMILES CN(CC#C)C(=O)CC1CN(CCN1C(=O)c1ccc(cc1)C1=NCCN1C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C29H31ClN6O4S/c1-4-12-33(2)27(37)18-24-19-35(41(39,40)26-17-22-16-23(30)9-10-25(22)32-26)14-15-36(24)29(38)21-7-5-20(6-8-21)28-31-11-13-34(28)3/h1,5-10,16-17,24,32H,11-15,18-19H2,2-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X was determined


Bioorg Med Chem Lett 14: 2073-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.049
BindingDB Entry DOI: 10.7270/Q2P84B98
More data for this
Ligand-Target Pair