BDBM50161765 CHEMBL3787263

SMILES: [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O

InChI Key: InChIKey=AJBWZNMIEOMJCC-NODVFIEMSA-N

Data: 3 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 6 hits for monomerid = 50161765   

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))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human kappa opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/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	0.813	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/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
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50161765 (CHEMBL3787263) Show SMILES [H]C12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc4ccccc4cc1C[C@@]23O |r,TLB:14:13:3.9.2:30| Show InChI InChI=1S/C27H28N2O2/c30-21-8-7-18-12-25-27(31)14-20-11-19-3-1-2-4-23(19)28-24(20)15-26(27,22(18)13-21)9-10-29(25)16-17-5-6-17/h1-4,7-8,11,13,17,25,30-31H,5-6,9-10,12,14-16H2/t25?,26-,27-/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
Kitasato University Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				Bioorg Med Chem 24: 2199-205 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KKZ
					More data for this Ligand-Target Pair