BDBM50079247 3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-isoxazole-5-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL330496::CHEMBL7967

SMILES: CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=WTULADZJJBGGRF-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 = 50079247   

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))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	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
Coagulation factor X (Homo sapiens (Human))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	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
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))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	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))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	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))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+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 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
Prothrombin (Homo sapiens (Human))	BDBM50079247 (3-(3-Carbamimidoyl-phenyl)-5-methyl-4,5-dihydro-is...) Show SMILES CC1(CC(=NO1)c1cccc(c1)C(N)=N)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O |c:3| Show InChI InChI=1S/C24H23N5O4S/c1-24(14-20(29-33-24)16-5-4-6-17(13-16)22(25)26)23(30)28-18-11-9-15(10-12-18)19-7-2-3-8-21(19)34(27,31)32/h2-13H,14H2,1H3,(H3,25,26)(H,28,30)(H2,27,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+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