BDBM50092664 CHEMBL126819::N,N-Diethyl-4-(piperazin-1-yl-quinolin-7-yl-methyl)-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1

InChI Key: InChIKey=BAFDHSPBWFCCGG-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 50092664   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092664 (CHEMBL126819 | N,N-Diethyl-4-(piperazin-1-yl-quino...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)21-10-8-20(9-11-21)24(29-16-14-26-15-17-29)22-12-7-19-6-5-13-27-23(19)18-22/h5-13,18,24,26H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.90	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency was measured using GTP gamma-[35S] binding assay				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092664 (CHEMBL126819 | N,N-Diethyl-4-(piperazin-1-yl-quino...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)21-10-8-20(9-11-21)24(29-16-14-26-15-17-29)22-12-7-19-6-5-13-27-23(19)18-22/h5-13,18,24,26H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50092664 (CHEMBL126819 | N,N-Diethyl-4-(piperazin-1-yl-quino...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)21-10-8-20(9-11-21)24(29-16-14-26-15-17-29)22-12-7-19-6-5-13-27-23(19)18-22/h5-13,18,24,26H,3-4,14-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092664 (CHEMBL126819 | N,N-Diethyl-4-(piperazin-1-yl-quino...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1ccc2cccnc2c1 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)21-10-8-20(9-11-21)24(29-16-14-26-15-17-29)22-12-7-19-6-5-13-27-23(19)18-22/h5-13,18,24,26H,3-4,14-17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair