BDBM50092176 3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ylamine::CHEMBL332017

SMILES: C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1

InChI Key: InChIKey=STNPURITMRUHGJ-RZAIGCCYSA-N

Data: 9 KI  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 10 hits for monomerid = 50092176   

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))	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	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 to displace radioligand [3H]U-69593 on Opioid receptor kappa 1 in guinea pig membranes.				J Med Chem 43: 3558-65 (2000) BindingDB Entry DOI: 10.7270/Q269749X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from KOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	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 to displace radioligand [3H]DAMGO on Opioid receptor mu 1 in guinea pig membranes.				J Med Chem 43: 3558-65 (2000) BindingDB Entry DOI: 10.7270/Q269749X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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 to displace radioligand [3H]naltrindole on Opioid receptor delta 1 in guinea pig membranes.				J Med Chem 43: 3558-65 (2000) BindingDB Entry DOI: 10.7270/Q269749X
					More data for this Ligand-Target Pair
G_PROTEIN_RECEP_F1_2 domain-containing protein (Cavia porcellus)	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole from DOR in guinea pig brain membranes after 3 hrs by scintillation counting method				Eur J Med Chem 148: 410-422 (2018) Article DOI: 10.1016/j.ejmech.2018.02.046 BindingDB Entry DOI: 10.7270/Q2QR50SX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092176 (3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...) Show SMILES C[C@H]1[C@H]2Cc3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H26N2/c1-12-17-9-14-5-6-15(19)10-16(14)18(12,2)7-8-20(17)11-13-3-4-13/h5-6,10,12-13,17H,3-4,7-9,11,19H2,1-2H3/t12-,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Incorporation of [35S]GTP-gamma-S, into CHO membranes expressing human Opioid receptor kappa 1				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