BDBM50079225 CHEMBL327430::[3-(3-Carbamimidoyl-phenyl)-5-(2'-methoxy-biphenyl-4-ylcarbamoyl)-4,5-dihydro-isoxazol-5-yl]-acetic acid methyl ester; TFA

SMILES: COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1OC

InChI Key: InChIKey=PXTNTPBGYHDLNV-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 = 50079225   

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))	BDBM50079225 (CHEMBL327430 | [3-(3-Carbamimidoyl-phenyl)-5-(2'-m...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1OC |c:7| Show InChI InChI=1S/C27H26N4O5/c1-34-23-9-4-3-8-21(23)17-10-12-20(13-11-17)30-26(33)27(16-24(32)35-2)15-22(31-36-27)18-6-5-7-19(14-18)25(28)29/h3-14H,15-16H2,1-2H3,(H3,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity to purified human coagulation factor Xa (FXa)				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50079225 (CHEMBL327430 | [3-(3-Carbamimidoyl-phenyl)-5-(2'-m...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1OC |c:7| Show InChI InChI=1S/C27H26N4O5/c1-34-23-9-4-3-8-21(23)17-10-12-20(13-11-17)30-26(33)27(16-24(32)35-2)15-22(31-36-27)18-6-5-7-19(14-18)25(28)29/h3-14H,15-16H2,1-2H3,(H3,28,29)(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity was measured towards human purified trypsin				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079225 (CHEMBL327430 | [3-(3-Carbamimidoyl-phenyl)-5-(2'-m...) Show SMILES COC(=O)CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1OC |c:7| Show InChI InChI=1S/C27H26N4O5/c1-34-23-9-4-3-8-21(23)17-10-12-20(13-11-17)30-26(33)27(16-24(32)35-2)15-22(31-36-27)18-6-5-7-19(14-18)25(28)29/h3-14H,15-16H2,1-2H3,(H3,28,29)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description The binding affinity towards thrombin obtained from human purified enzymes.				J Med Chem 42: 2752-9 (1999) Article DOI: 10.1021/jm980405i BindingDB Entry DOI: 10.7270/Q28P616C
					More data for this Ligand-Target Pair