BDBM50106054 3-Amino-benzo[d]isoxazole-5-carboxylic acid [(R)-phenyl-(2'-sulfamoyl-biphenyl-4-ylcarbamoyl)-methyl]-amide::CHEMBL101131

SMILES: Nc1noc2ccc(cc12)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1

InChI Key: InChIKey=LKPTUGLHHHZEJM-RUZDIDTESA-N

Data: 2 IC50

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 = 50106054   

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))	BDBM50106054 (3-Amino-benzo[d]isoxazole-5-carboxylic acid [(R)-p...) Show SMILES Nc1noc2ccc(cc12)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C28H23N5O5S/c29-26-22-16-19(12-15-23(22)38-33-26)27(34)32-25(18-6-2-1-3-7-18)28(35)31-20-13-10-17(11-14-20)21-8-4-5-9-24(21)39(30,36)37/h1-16,25H,(H2,29,33)(H,31,35)(H,32,34)(H2,30,36,37)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Coagulation factor X was determined				Bioorg Med Chem Lett 11: 2947-50 (2001) BindingDB Entry DOI: 10.7270/Q27H1HW6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50106054 (3-Amino-benzo[d]isoxazole-5-carboxylic acid [(R)-p...) Show SMILES Nc1noc2ccc(cc12)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1 Show InChI InChI=1S/C28H23N5O5S/c29-26-22-16-19(12-15-23(22)38-33-26)27(34)32-25(18-6-2-1-3-7-18)28(35)31-20-13-10-17(11-14-20)21-8-4-5-9-24(21)39(30,36)37/h1-16,25H,(H2,29,33)(H,31,35)(H,32,34)(H2,30,36,37)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human thrombin.				Bioorg Med Chem Lett 11: 2947-50 (2001) BindingDB Entry DOI: 10.7270/Q27H1HW6
					More data for this Ligand-Target Pair