BDBM12508 (2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]-N-(2-cyanoethyl)-N-cyclopropylpropanamide::P4 alanylamide pyrrolidin-2-one 19

SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)C1CC1

InChI Key: InChIKey=CELJRFQNXPEIDE-BTYIYWSLSA-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 = 12508   

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))	BDBM12508 ((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)C1CC1 |r| Show InChI InChI=1S/C23H25ClN4O4S/c1-15(22(29)28(11-2-10-25)19-6-7-19)27-12-9-21(23(27)30)26-33(31,32)20-8-4-16-13-18(24)5-3-17(16)14-20/h3-5,8,13-15,19,21,26H,2,6-7,9,11-12H2,1H3/t15-,21-/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	57	-9.88	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: 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