BDBM12530 (2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]-N-(propan-2-yl)-N-(2-sulfamoylethyl)propanamide::P4 alanylamide pyrrolidin-2-one 41

SMILES: CC(C)N(CCS(N)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O

InChI Key: InChIKey=LEXGOWJJRLAVCQ-YWZLYKJASA-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 = 12530   

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))	BDBM12530 ((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...) Show SMILES CC(C)N(CCS(N)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r| Show InChI InChI=1S/C22H29ClN4O6S2/c1-14(2)26(10-11-34(24,30)31)21(28)15(3)27-9-8-20(22(27)29)25-35(32,33)19-7-5-16-12-18(23)6-4-17(16)13-19/h4-7,12-15,20,25H,8-11H2,1-3H3,(H2,24,30,31)/t15-,20-/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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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: 5953-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.001 BindingDB Entry DOI: 10.7270/Q2CF9NB8
					More data for this Ligand-Target Pair