BDBM12377 2-Carboxyindole Scaffold 28::5-(benzyloxy)-1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::5-Benzyloxy-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

SMILES: CC(C)N1CCC(CC1)NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1

InChI Key: InChIKey=BFTIGQYPPHDMJL-UHFFFAOYSA-N

Data: 1 KI

PDB links: 2 PDB IDs contain 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 = 12377   

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))	BDBM12377 (2-Carboxyindole Scaffold 28 | 5-(benzyloxy)-1-{[5-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C32H33ClN4O3S/c1-21(2)36-14-12-24(13-15-36)34-32(38)28-17-23-16-26(39-20-22-6-4-3-5-7-22)8-9-27(23)37(28)19-25-18-29(40-35-25)30-10-11-31(33)41-30/h3-11,16-18,21,24H,12-15,19-20H2,1-2H3,(H,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	835	-8.29	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair