BDBM50355000 CHEMBL1834903

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=ASLJLOBODNWHRX-GXHCNURXSA-N

Data: 3 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 3 hits for monomerid = 50355000   

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))	BDBM50355000 (CHEMBL1834903) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32| Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36+,37-,38+,39+,40+,41-,42-/m1/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
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from guinea pig kappa opioid receptor in cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50355000 (CHEMBL1834903) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32| Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36+,37-,38+,39+,40+,41-,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	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 mouse mu opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50355000 (CHEMBL1834903) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35O)O[C@H](N=C1)[C@]1(O)CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r,c:32| Show InChI InChI=1S/C42H49N3O8/c46-26-7-5-24-17-28-41(49)11-9-37(34-38(41,30(24)32(26)51-34)13-15-44(28)19-22-1-2-22)21-43-36(53-37)40(48)10-12-42(50)29-18-25-6-8-27(47)33-31(25)39(42,35(40)52-33)14-16-45(29)20-23-3-4-23/h5-8,21-23,28-29,34-36,46-50H,1-4,9-20H2/t28-,29-,34+,35-,36+,37-,38+,39+,40+,41-,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.7	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 mouse delta opioid receptor in whole brain without cerebellum				Bioorg Med Chem Lett 21: 6198-202 (2011) Article DOI: 10.1016/j.bmcl.2011.07.065 BindingDB Entry DOI: 10.7270/Q25M664X
					More data for this Ligand-Target Pair