BDBM50137563 1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one::CHEMBL299660::SR-14137

SMILES: CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O

InChI Key: InChIKey=RTCXPSZQJKHURF-HKBOAZHASA-N

Data: 4 KI  3 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 7 hits for monomerid = 50137563   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	535	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	987	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human opioid receptor kappa 1 in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	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	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human opioid receptor mu 1 in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM50137563 (1-Ethyl-3-((2S,6S,9aR)-6-phenyl-octahydro-quinoliz...) Show SMILES CCn1c2ccccc2n([C@H]2CCN3[C@H](CCC[C@H]3c3ccccc3)C2)c1=O Show InChI InChI=1S/C24H29N3O/c1-2-25-22-12-6-7-13-23(22)27(24(25)28)20-15-16-26-19(17-20)11-8-14-21(26)18-9-4-3-5-10-18/h3-7,9-10,12-13,19-21H,2,8,11,14-17H2,1H3/t19-,20+,21+/m1/s1	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	>1.00E+4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
					More data for this Ligand-Target Pair