BDBM31466 substituted biphenyl derivative, 36f

SMILES: CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C

InChI Key: InChIKey=RXGWTRRHEHZYJO-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 31466   

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 VII (Homo sapiens (Human))	BDBM31466 (substituted biphenyl derivative, 36f) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.2	23
BioCryst Pharmaceuticals					Assay Description TF-FVIIa assay reactions were performed in a mixture containing FVIIa , lapidated tissue factor, in an assay buffer in the presence of test compounds...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM31466 (substituted biphenyl derivative, 36f) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.87E+3	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description Trypsin assay reactions were performed in a mixture containing trypsin, and test compounds were added at varied concentrations. The reactions were in...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM31466 (substituted biphenyl derivative, 36f) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.14E+3	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description FXa assay reactions were performed in a reaction mixture containing FXa, and test compounds were added at varied concentrations and reactions were in...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM31466 (substituted biphenyl derivative, 36f) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.02E+4	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description Thrombin assay reactions were performed in a reaction mixture containing thrombin, and test compounds were added at varied concentrations. The reacti...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM31466 (substituted biphenyl derivative, 36f) Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C Show InChI InChI=1S/C28H26N4O4/c1-4-17-5-11-21(23(13-17)27(34)32-20-9-6-18(7-10-20)25(29)30)22-12-8-19(14-24(22)28(35)36)26(33)31-15-16(2)3/h1,5-14,16H,15H2,2-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	25
BioCryst Pharmaceuticals					Assay Description The assay is an amidolytic assay based upon the absorbance of derivatized thiols from the hydrolysis of Z-Lys-SBzl (Bachem) in the presence of 5,5-Di...				Bioorg Med Chem 17: 3934-58 (2009) Article DOI: 10.1016/j.bmc.2009.04.013 BindingDB Entry DOI: 10.7270/Q2SX6BJN
					More data for this Ligand-Target Pair