null

SMILES: Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)C1(Cc2cc4ccccc4cc2C1)C[C@@]35O

InChI Key: InChIKey=PEUJKQAYBIGLSJ-NYQIEFAASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50058150   

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)	BDBM50058150 (7-(5',6'-Benzo-2'-spiroindanyl)naltrexone | CHEMBL...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)C1(Cc2cc4ccccc4cc2C1)C[C@@]35O |TLB:36:35:18.4.5:7.13.12,THB:8:7:35:18.4.5,17:18:35:7.13.12| Show InChI InChI=1S/C32H31NO4/c34-24-8-7-21-13-25-32(36)17-30(14-22-11-19-3-1-2-4-20(19)12-23(22)15-30)28(35)29-31(32,26(21)27(24)37-29)9-10-33(25)16-18-5-6-18/h1-4,7-8,11-12,18,25,29,34,36H,5-6,9-10,13-17H2/t25?,29?,31?,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound tested for agonistic activity against Opioid receptor mu 1 using [3H]- DAMGO as the radioligand.				J Med Chem 40: 1720-5 (1997) Article DOI: 10.1021/jm9700880 BindingDB Entry DOI: 10.7270/Q2FB53M9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50058150 (7-(5',6'-Benzo-2'-spiroindanyl)naltrexone | CHEMBL...) Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(=O)C1(Cc2cc4ccccc4cc2C1)C[C@@]35O |TLB:36:35:18.4.5:7.13.12,THB:8:7:35:18.4.5,17:18:35:7.13.12| Show InChI InChI=1S/C32H31NO4/c34-24-8-7-21-13-25-32(36)17-30(14-22-11-19-3-1-2-4-20(19)12-23(22)15-30)28(35)29-31(32,26(21)27(24)37-29)9-10-33(25)16-18-5-6-18/h1-4,7-8,11-12,18,25,29,34,36H,5-6,9-10,13-17H2/t25?,29?,31?,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description The compound tested for agonistic activity against Opioid receptor kappa 1 using [3H]U-69,594 as the radioligand.				J Med Chem 40: 1720-5 (1997) Article DOI: 10.1021/jm9700880 BindingDB Entry DOI: 10.7270/Q2FB53M9
					More data for this Ligand-Target Pair