BDBM50123037 1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-carboxylic acid (3-fluoro-2'-methanesulfonyl-biphenyl-4-yl)-amide::CHEMBL441283

SMILES: CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1

InChI Key: InChIKey=FUNRQCDHJDPRHR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50123037   

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))	BDBM50123037 (1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1 Show InChI InChI=1S/C22H16FN7O4S/c1-35(32,33)19-5-3-2-4-14(19)12-6-8-17(16(23)10-12)25-22(31)21-26-28-29-30(21)13-7-9-18-15(11-13)20(24)27-34-18/h2-11H,1H3,(H2,24,27)(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibition of human purified factor Xa				Bioorg Med Chem Lett 13: 369-73 (2003) BindingDB Entry DOI: 10.7270/Q2BG2NC3
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50123037 (1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1 Show InChI InChI=1S/C22H16FN7O4S/c1-35(32,33)19-5-3-2-4-14(19)12-6-8-17(16(23)10-12)25-22(31)21-26-28-29-30(21)13-7-9-18-15(11-13)20(24)27-34-18/h2-11H,1H3,(H2,24,27)(H,25,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory constant against thrombin using human purified enzymes				Bioorg Med Chem Lett 13: 369-73 (2003) BindingDB Entry DOI: 10.7270/Q2BG2NC3
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50123037 (1-(3-Amino-benzo[d]isoxazol-5-yl)-1H-tetrazole-5-c...) Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2nnnn2-c2ccc3onc(N)c3c2)c(F)c1 Show InChI InChI=1S/C22H16FN7O4S/c1-35(32,33)19-5-3-2-4-14(19)12-6-8-17(16(23)10-12)25-22(31)21-26-28-29-30(21)13-7-9-18-15(11-13)20(24)27-34-18/h2-11H,1H3,(H2,24,27)(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Inhibitory constant against trypsin using human purified enzymes				Bioorg Med Chem Lett 13: 369-73 (2003) BindingDB Entry DOI: 10.7270/Q2BG2NC3
					More data for this Ligand-Target Pair