BDBM12677 1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2-pyrrolidinylmethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide, Bis(trifluoroacetic acid), Salt::1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)-1H-imidazol-1-yl]phenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; bis(2,2,2-trifluoroacetic acid)::Razaxaban Analogue::aminobenzisoxazole 11e

SMILES: Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CN1CCCC1)C(F)(F)F

InChI Key: InChIKey=GONSXYIFCYXXJP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 12677   

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))	BDBM12677 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C26H22F4N8O2/c27-18-12-15(37-10-7-32-23(37)14-36-8-1-2-9-36)3-5-19(18)33-25(39)20-13-22(26(28,29)30)34-38(20)16-4-6-21-17(11-16)24(31)35-40-21/h3-7,10-13H,1-2,8-9,14H2,(H2,31,35)(H,33,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.370	-12.7	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...				J Med Chem 48: 1729-44 (2005) Article DOI: 10.1021/jm0497949 BindingDB Entry DOI: 10.7270/Q2BK19K9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12677 (1-(3-Aminobenzisoxazol-5-yl)-3-trifluoromethyl-N-[...) Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CN1CCCC1)C(F)(F)F Show InChI InChI=1S/C26H22F4N8O2/c27-18-12-15(37-10-7-32-23(37)14-36-8-1-2-9-36)3-5-19(18)33-25(39)20-13-22(26(28,29)30)34-38(20)16-4-6-21-17(11-16)24(31)35-40-21/h3-7,10-13H,1-2,8-9,14H2,(H2,31,35)(H,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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...				J Med Chem 48: 1729-44 (2005) Article DOI: 10.1021/jm0497949 BindingDB Entry DOI: 10.7270/Q2BK19K9
					More data for this Ligand-Target Pair