BDBM12555 6-chloro-N-methyl-N-[(3S)-2-oxo-1-[2-oxo-2-(piperidin-1-yl)ethyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide::pyrrolidin-2-one-based inhibitor 3

SMILES: CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1

InChI Key: InChIKey=MWQBNLSJBXNUDC-FQEVSTJZSA-N

Data: 1 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 12555   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM12555 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[2-oxo-2-(piperi...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-24(31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19)20-9-12-26(22(20)28)15-21(27)25-10-3-2-4-11-25/h5-8,13-14,20H,2-4,9-12,15H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	-9.74	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair