BDBM12376 2-Carboxyindole Scaffold 27::5-Bromo-1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-indole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide::5-bromo-1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide

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

InChI Key: InChIKey=GCPRDYGAADRGPV-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 = 12376   

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))	BDBM12376 (2-Carboxyindole Scaffold 27 | 5-Bromo-1-[5-(5-chlo...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Br)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1 Show InChI InChI=1S/C25H26BrClN4O2S/c1-15(2)30-9-7-18(8-10-30)28-25(32)21-12-16-11-17(26)3-4-20(16)31(21)14-19-13-22(33-29-19)23-5-6-24(27)34-23/h3-6,11-13,15,18H,7-10,14H2,1-2H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	9	-11.0	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