BDBM50076501 19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01,13.03,11.05,10.016,21]tetracosa-3(11),5(10),6,8,16,18,20-heptaene-13,20-diol::CHEMBL416647

SMILES: COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O

InChI Key: InChIKey=NVKFKYFEFLFZKJ-AGILITTLSA-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 = 50076501   

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))	BDBM50076501 (19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50076501 (19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor delta 1 by the displacement of [3H]DADLE radioligand in rat brain membranes				J Med Chem 42: 1673-9 (1999) Article DOI: 10.1021/jm9807003 BindingDB Entry DOI: 10.7270/Q24M957P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50076501 (19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50076501 (19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 by the displacement of [3H]DAMGO radioligand in rat brain membranes				J Med Chem 42: 1673-9 (1999) Article DOI: 10.1021/jm9807003 BindingDB Entry DOI: 10.7270/Q24M957P
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50076501 (19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4603-6 (2009) Article DOI: 10.1016/j.bmcl.2009.06.093 BindingDB Entry DOI: 10.7270/Q2WQ04RF
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50076501 (19-methoxy-24-methyl-4,24-diazahexacyclo[12.7.3.01...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]4(Cc5[nH]c6ccccc6c5C[C@@]34O)c2c1O Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-23-13-18-16(15-5-3-4-6-17(15)25-18)12-24(23,28)20(26)11-14-7-8-19(29-2)22(27)21(14)23/h3-8,20,25,27-28H,9-13H2,1-2H3/t20-,23-,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Ability to displace [3H]U-69593 radioligand from Opioid receptor kappa 1				J Med Chem 42: 1673-9 (1999) Article DOI: 10.1021/jm9807003 BindingDB Entry DOI: 10.7270/Q24M957P
					More data for this Ligand-Target Pair