BDBM50085027 (6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morpholin-4-yl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::3-Cyclopropylmethyl-6,11-dimethyl-8-morpholin-4-yl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::CHEMBL55248

SMILES: C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1

InChI Key: InChIKey=FCUBDHJZNYQBJC-URJRECBDSA-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 = 50085027   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50085027 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	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))	BDBM50085027 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	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)	BDBM50085027 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	650	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50085027 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	650	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))	BDBM50085027 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+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))	BDBM50085027 ((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...) Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3| Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80E+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