BDBM50402460 CHEMBL2204031

SMILES: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O

InChI Key: InChIKey=QTQGYSVCGUESKY-LRVQYYJASA-N

Data: 3 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 4 hits for monomerid = 50402460   

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 (MOUSE)	BDBM50402460 (CHEMBL2204031) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r| Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85	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 mu opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 22: 7551-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.023 BindingDB Entry DOI: 10.7270/Q29P32T1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50402460 (CHEMBL2204031) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r| Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.1	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 delta opioid receptor in mouse whole brain without cerebellum				Bioorg Med Chem Lett 22: 7551-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.023 BindingDB Entry DOI: 10.7270/Q29P32T1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50402460 (CHEMBL2204031) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r| Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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 kappa opioid receptor in guinea pig cerebellum				Bioorg Med Chem Lett 22: 7551-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.023 BindingDB Entry DOI: 10.7270/Q29P32T1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50402460 (CHEMBL2204031) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@]41O[C@H]2N3[C@H](OC2(C)C)C(C)(C)O[C@H]13)ccc5O |r| Show InChI InChI=1S/C26H34N2O6/c1-22(2)19-28-20(23(3,4)32-19)34-25(21(28)33-22)8-9-26(30)15-12-13-6-7-14(29)17-16(13)24(26,18(25)31-17)10-11-27(15)5/h6-7,15,18-21,29-30H,8-12H2,1-5H3/t15-,18-,19-,20-,21-,24+,25+,26-/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	n/a	n/a	n/a	n/a	6	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 cells assessed as [35S]GTPgammaS binding after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 22: 7551-4 (2012) Article DOI: 10.1016/j.bmcl.2012.10.023 BindingDB Entry DOI: 10.7270/Q29P32T1
					More data for this Ligand-Target Pair