BDBM50125252 3-(3-Amino-4-chloro-phenyl)-5-[(3-ethyl-ureido)-methyl]-4,5-dihydro-isoxazole-5-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide::CHEMBL8356

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

InChI Key: InChIKey=PBVGHOGZTHOKGU-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 = 50125252   

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))	BDBM50125252 (3-(3-Amino-4-chloro-phenyl)-5-[(3-ethyl-ureido)-me...) Show SMILES CCNC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:9| Show InChI InChI=1S/C25H26ClN7O5S/c1-2-29-24(35)31-14-25(12-20(33-38-25)15-7-9-18(26)19(27)11-15)23(34)32-22-10-8-16(13-30-22)17-5-3-4-6-21(17)39(28,36)37/h3-11,13H,2,12,14,27H2,1H3,(H2,28,36,37)(H2,29,31,35)(H,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	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))	BDBM50125252 (3-(3-Amino-4-chloro-phenyl)-5-[(3-ethyl-ureido)-me...) Show SMILES CCNC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:9| Show InChI InChI=1S/C25H26ClN7O5S/c1-2-29-24(35)31-14-25(12-20(33-38-25)15-7-9-18(26)19(27)11-15)23(34)32-22-10-8-16(13-30-22)17-5-3-4-6-21(17)39(28,36)37/h3-11,13H,2,12,14,27H2,1H3,(H2,28,36,37)(H2,29,31,35)(H,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.20E+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))	BDBM50125252 (3-(3-Amino-4-chloro-phenyl)-5-[(3-ethyl-ureido)-me...) Show SMILES CCNC(=O)NCC1(CC(=NO1)c1ccc(Cl)c(N)c1)C(=O)Nc1ccc(cn1)-c1ccccc1S(N)(=O)=O |c:9| Show InChI InChI=1S/C25H26ClN7O5S/c1-2-29-24(35)31-14-25(12-20(33-38-25)15-7-9-18(26)19(27)11-15)23(34)32-22-10-8-16(13-30-22)17-5-3-4-6-21(17)39(28,36)37/h3-11,13H,2,12,14,27H2,1H3,(H2,28,36,37)(H2,29,31,35)(H,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.30E+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 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