BDBM50090100 CHEMBL319202::Norbinaltorphimine (norBNI)

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2CC4(O)[C@H]6Cc7ccc(O)c8OC(c2c1CC35O)C4(CCN6CC1CC1)c78

InChI Key: InChIKey=CBCDJVHZCGLUEX-MGVHPQPWSA-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 = 50090100   

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 (Rattus norvegicus (rat))	BDBM50090100 (CHEMBL319202 | Norbinaltorphimine (norBNI)) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2CC4(O)[C@H]6Cc7ccc(O)c8OC(c2c1CC35O)C4(CCN6CC1CC1)c78 |TLB:24:23:48.27.26:43.41.42,3:4:38:7.13.12,32:48:23:43.41.42,THB:22:23:48.27.26:43.41.42,28:27:23:43.41.42| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-14-28-40(47)16-24-29(35-37(40,30(21)33(25)48-35)9-11-43(28)18-20-3-4-20)23-15-39(46)27-13-22-6-8-26(45)34-31(22)38(39,36(49-34)32(23)41-24)10-12-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27?,28-,35?,36?,37?,38+,39?,40?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.244	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor kappa 1				J Med Chem 43: 2759-69 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W2W
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50090100 (CHEMBL319202 | Norbinaltorphimine (norBNI)) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2CC4(O)[C@H]6Cc7ccc(O)c8OC(c2c1CC35O)C4(CCN6CC1CC1)c78 |TLB:24:23:48.27.26:43.41.42,3:4:38:7.13.12,32:48:23:43.41.42,THB:22:23:48.27.26:43.41.42,28:27:23:43.41.42| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-14-28-40(47)16-24-29(35-37(40,30(21)33(25)48-35)9-11-43(28)18-20-3-4-20)23-15-39(46)27-13-22-6-8-26(45)34-31(22)38(39,36(49-34)32(23)41-24)10-12-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27?,28-,35?,36?,37?,38+,39?,40?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor delta 1				J Med Chem 43: 2759-69 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090100 (CHEMBL319202 | Norbinaltorphimine (norBNI)) Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)c1[nH]c2CC4(O)[C@H]6Cc7ccc(O)c8OC(c2c1CC35O)C4(CCN6CC1CC1)c78 |TLB:24:23:48.27.26:43.41.42,3:4:38:7.13.12,32:48:23:43.41.42,THB:22:23:48.27.26:43.41.42,28:27:23:43.41.42| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-14-28-40(47)16-24-29(35-37(40,30(21)33(25)48-35)9-11-43(28)18-20-3-4-20)23-15-39(46)27-13-22-6-8-26(45)34-31(22)38(39,36(49-34)32(23)41-24)10-12-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27?,28-,35?,36?,37?,38+,39?,40?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Binding affinity on HEK-293 cells transiently transfected with plasmids encoding the rat Opioid receptor mu 1				J Med Chem 43: 2759-69 (2000) BindingDB Entry DOI: 10.7270/Q2JD4W2W
					More data for this Ligand-Target Pair