BDBM12840 1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::Aminobenzisoxazole 2i

SMILES: Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCCC1)C(F)(F)F

InChI Key: InChIKey=VWXAJELEKJVKSG-UHFFFAOYSA-N

Data: 1 KI

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 = 12840   

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))	BDBM12840 (1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C29H24F4N6O2/c30-22-13-17(20-6-2-1-5-18(20)16-38-11-3-4-12-38)7-9-23(22)35-28(40)24-15-26(29(31,32)33)36-39(24)19-8-10-25-21(14-19)27(34)37-41-25/h1-2,5-10,13-15H,3-4,11-12,16H2,(H2,34,37)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	-13.5	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Pharmaceutical Research Institute					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 16: 1795-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.010 BindingDB Entry DOI: 10.7270/Q2FB515N
					More data for this Ligand-Target Pair