BDBM50058154 7-(4'-Methoxy-2'-spiroindanyl)naltrexone::CHEMBL297933

SMILES: COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45

InChI Key: InChIKey=CYGKSTHZZXBEKA-ZYRCJVDNSA-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 = 50058154   

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 (MOUSE)	BDBM50058154 (7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...) Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28| Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0280	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 delta 1 using [3H]- NT1 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
Mu-type opioid receptor (MOUSE)	BDBM50058154 (7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...) Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28| Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	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))	BDBM50058154 (7-(4'-Methoxy-2'-spiroindanyl)naltrexone | CHEMBL2...) Show SMILES COc1cccc2CC3(Cc12)C[C@@]1(O)C2Cc4ccc(O)c5OC(C3=O)C1(CCN2CC1CC1)c45 |TLB:30:29:12:34.16.15,21:34:12:29.27.28,13:12:34.16.15:29.27.28| Show InChI InChI=1S/C29H31NO5/c1-34-21-4-2-3-18-12-27(13-19(18)21)15-29(33)22-11-17-7-8-20(31)24-23(17)28(29,26(35-24)25(27)32)9-10-30(22)14-16-5-6-16/h2-4,7-8,16,22,26,31,33H,5-6,9-15H2,1H3/t22?,26?,27?,28?,29-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+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