BDBM50240374 3-(4-biphenylylcarbonyl)propionic acid::3-(4-phenylbenzoyl)propionic acid::4-(4-biphenylyl)-4-oxobutyric acid::4-[1,1'-biphenyl-4-yl]-4-oxobutanoic acid::4-biphenyl-4-yl-4-oxobutanoic acid::CHEMBL277522::Fenbufen::gamma-oxo(1,1'-biphenyl)-4-butanoic acid

SMILES: OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=ZPAKPRAICRBAOD-UHFFFAOYSA-N

Data: 1 KI  7 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 8 hits for monomerid = 50240374   

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
Dihydrofolate reductase (Homo sapiens (Human))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	3.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Curated by ChEMBL					Assay Description Inhibition of human DHFR in presence of DHF and NADPH by UV-vis spectrometry by Lineweaver-Burk plot analysis				J Med Chem 63: 8314-8324 (2020)
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	n/a
University of Colorado					Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...				Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	7.4	n/a
University of Colorado					Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...				Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	7.4	n/a
University of Colorado					Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...				Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by enzyme-immuno assay				Eur J Med Chem 44: 3798-804 (2009) Article DOI: 10.1016/j.ejmech.2009.04.009 BindingDB Entry DOI: 10.7270/Q2J1036V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hamdard University Curated by ChEMBL					Assay Description Inhibition of ovine COX2 by enzyme-immuno assay				Eur J Med Chem 44: 3798-804 (2009) Article DOI: 10.1016/j.ejmech.2009.04.009 BindingDB Entry DOI: 10.7270/Q2J1036V
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.4	n/a
University of Colorado					Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...				Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50240374 (3-(4-biphenylylcarbonyl)propionic acid | 3-(4-phen...) Show SMILES OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	7.4	n/a
University of Colorado					Assay Description Experiments were performed in a 384-well format (Greiner no. 781207) as per the conditions noted here. Caspase-1: 2.5 nM enzyme, 6.5 mM WEHD substrat...				Cell Chem Biol 24: 281-292 (2017) Article DOI: 10.1016/j.chembiol.2017.02.003 BindingDB Entry DOI: 10.7270/Q2C53JQX
					More data for this Ligand-Target Pair