BDBM50228912 1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-2-(2'-pyrrolidin-1-ylmethyl-biphenyl-4-yl)-ethanone::CHEMBL252453

SMILES: Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CCCC1)C(F)(F)F

InChI Key: InChIKey=AALHKJFWUSBUMO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50228912   

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))	BDBM50228912 (1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)28-17-25(38(35-28)22-11-12-27-24(16-22)29(34)36-40-27)26(39)15-19-7-9-20(10-8-19)23-6-2-1-5-21(23)18-37-13-3-4-14-37/h1-2,5-12,16-17H,3-4,13-15,18H2,(H2,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human factor 10a				Bioorg Med Chem Lett 18: 749-54 (2008) Article DOI: 10.1016/j.bmcl.2007.11.040 BindingDB Entry DOI: 10.7270/Q2DV1KQS
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50228912 (1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Cc1ccc(cc1)-c1ccccc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C30H26F3N5O2/c31-30(32,33)28-17-25(38(35-28)22-11-12-27-24(16-22)29(34)36-40-27)26(39)15-19-7-9-20(10-8-19)23-6-2-1-5-21(23)18-37-13-3-4-14-37/h1-2,5-12,16-17H,3-4,13-15,18H2,(H2,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 18: 749-54 (2008) Article DOI: 10.1016/j.bmcl.2007.11.040 BindingDB Entry DOI: 10.7270/Q2DV1KQS
					More data for this Ligand-Target Pair