BDBM50238214 (2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL261118

SMILES: CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1

InChI Key: InChIKey=XZLOCXAETCREOE-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 = 50238214   

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
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238214 ((2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)...) Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of adenylate binding site of Photinus pyralis luciferase by quantitative high throughput screening				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photuris pennsylvanica)	BDBM50238214 ((2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)...) Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of adenylate binding site of Photuris pennsylvanica luciferase by quantitative high throughput screening				J Med Chem 52: 1450-8 (2010) Article DOI: 10.1021/jm8014525 BindingDB Entry DOI: 10.7270/Q2XD11PW
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238214 ((2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)...) Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by PK-Light assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238214 ((2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)...) Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238214 ((2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)...) Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1 Show InChI InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Photinus pyralis luciferase by Easy lite assay				J Med Chem 51: 2372-86 (2008) Article DOI: 10.1021/jm701302v BindingDB Entry DOI: 10.7270/Q2F192HZ
					More data for this Ligand-Target Pair