BDBM50079252 3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL328298::CHEMBL350499

SMILES: COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=CSZCUWDVIVOGJP-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50079252   

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 (Oryctolagus cuniculus)	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against rabbit Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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 towards human purified Coagulation factor Xa (FXa)				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of human Coagulation factor X				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	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 towards trypsin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibitory activity against thrombin				Bioorg Med Chem Lett 10: 685-9 (2000) BindingDB Entry DOI: 10.7270/Q21V5D63
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50079252 (3-(3-Carbamimidoyl-phenyl)-5-methoxymethyl-4,5-dih...) Show SMILES COCC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:5| Show InChI InChI=1S/C25H25N5O5S/c1-34-15-25(14-21(30-35-25)17-5-4-6-18(13-17)23(26)27)24(31)29-19-11-9-16(10-12-19)20-7-2-3-8-22(20)36(28,32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,29,31)(H2,28,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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 Binding affinity towards thrombin obtained from human purified enzymes				J Med Chem 42: 2760-73 (1999) Article DOI: 10.1021/jm980406a BindingDB Entry DOI: 10.7270/Q28W3CHG
					More data for this Ligand-Target Pair