BDBM50085032 (6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piperidin-1-yl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine; dihydrochloride::CHEMBL168625::CHEMBL543563

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1

InChI Key: InChIKey=DINHVBGJVOAMBL-XHLMSTEBSA-N

Data: 6 KI

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 6 hits for monomerid = 50085032   

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 (GUINEA PIG)	BDBM50085032 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50085032 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor kappa 1 obtained from guinea pig brain membranes using [3H]U-69593 as radioligand				Bioorg Med Chem Lett 10: 183-7 (2000) BindingDB Entry DOI: 10.7270/Q2571CH7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50085032 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50085032 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor mu 1 obtained from guinea pig brain membranes using [3H]DAMGO as radioligand				Bioorg Med Chem Lett 10: 183-7 (2000) BindingDB Entry DOI: 10.7270/Q2571CH7
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50085032 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand				J Med Chem 46: 838-49 (2003) Article DOI: 10.1021/jm020429w BindingDB Entry DOI: 10.7270/Q2Z31Z09
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50085032 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-piper...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCCCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C23H34N2/c1-17-22-14-19-8-9-20(24-11-4-3-5-12-24)15-21(19)23(17,2)10-13-25(22)16-18-6-7-18/h8-9,15,17-18,22H,3-7,10-14,16H2,1-2H3/t17-,22?,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand				Bioorg Med Chem Lett 10: 183-7 (2000) BindingDB Entry DOI: 10.7270/Q2571CH7
					More data for this Ligand-Target Pair