BDBM50125248 5-(Acetylamino-methyl)-3-(3-amino-4-chloro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide::CHEMBL267681

SMILES: CC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=DZADXUOYDHUVHY-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 = 50125248   

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))	BDBM50125248 (5-(Acetylamino-methyl)-3-(3-amino-4-chloro-phenyl)...) Show SMILES CC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C24H23ClN6O5S/c1-14(32)29-13-24(11-20(31-36-24)15-6-8-18(25)19(26)10-15)23(33)30-22-9-7-16(12-28-22)17-4-2-3-5-21(17)37(27,34)35/h2-10,12H,11,13,26H2,1H3,(H,29,32)(H2,27,34,35)(H,28,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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 activity against factor Xa using human purified enzyme.				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50125248 (5-(Acetylamino-methyl)-3-(3-amino-4-chloro-phenyl)...) Show SMILES CC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C24H23ClN6O5S/c1-14(32)29-13-24(11-20(31-36-24)15-6-8-18(25)19(26)10-15)23(33)30-22-9-7-16(12-28-22)17-4-2-3-5-21(17)37(27,34)35/h2-10,12H,11,13,26H2,1H3,(H,29,32)(H2,27,34,35)(H,28,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 activity against trypsin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50125248 (5-(Acetylamino-methyl)-3-(3-amino-4-chloro-phenyl)...) Show SMILES CC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:7| Show InChI InChI=1S/C24H23ClN6O5S/c1-14(32)29-13-24(11-20(31-36-24)15-6-8-18(25)19(26)10-15)23(33)30-22-9-7-16(12-28-22)17-4-2-3-5-21(17)37(27,34)35/h2-10,12H,11,13,26H2,1H3,(H,29,32)(H2,27,34,35)(H,28,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>2.10E+4	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 activity against thrombin using human purified enzyme				Bioorg Med Chem Lett 13: 1023-8 (2003) BindingDB Entry DOI: 10.7270/Q21R6PWQ
					More data for this Ligand-Target Pair