BDBM50092683 CHEMBL126366::N,N-Diethyl-4-(isoquinolin-5-yl-piperazin-1-yl-methyl)-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12

InChI Key: InChIKey=WAXHVFCFNPHKLK-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 = 50092683   

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))	BDBM50092683 (CHEMBL126366 | N,N-Diethyl-4-(isoquinolin-5-yl-pip...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)20-10-8-19(9-11-20)24(29-16-14-26-15-17-29)23-7-5-6-21-18-27-13-12-22(21)23/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	55	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))	BDBM50092683 (CHEMBL126366 | N,N-Diethyl-4-(isoquinolin-5-yl-pip...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)20-10-8-19(9-11-20)24(29-16-14-26-15-17-29)23-7-5-6-21-18-27-13-12-22(21)23/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	>1.00E+4	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))	BDBM50092683 (CHEMBL126366 | N,N-Diethyl-4-(isoquinolin-5-yl-pip...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)20-10-8-19(9-11-20)24(29-16-14-26-15-17-29)23-7-5-6-21-18-27-13-12-22(21)23/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	1.48E+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))	BDBM50092683 (CHEMBL126366 | N,N-Diethyl-4-(isoquinolin-5-yl-pip...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C25H30N4O/c1-3-28(4-2)25(30)20-10-8-19(9-11-20)24(29-16-14-26-15-17-29)23-7-5-6-21-18-27-13-12-22(21)23/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	4.10	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