BDBM50238221 (4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinolin-4-yl)methanone::CHEMBL411085

SMILES: Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1

InChI Key: InChIKey=BESCHBVTVJFEFE-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 = 50238221   

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 (Photuris pennsylvanica)	BDBM50238221 ((4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinol...) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1 Show InChI InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	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)	BDBM50238221 ((4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinol...) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1 Show InChI InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	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 (Photinus pyralis)	BDBM50238221 ((4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinol...) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1 Show InChI InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	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
Luciferin 4-monooxygenase (Photinus pyralis)	BDBM50238221 ((4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinol...) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1 Show InChI InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	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)	BDBM50238221 ((4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinol...) Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1 Show InChI InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	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