BDBM50170649 2',3,6,7a,15'-Pentamethyl-(1'S,2'R,2'R,3R,3aS,5'S,6S,7aR,10'S,11'S)-spiro[perhydrofuro[3,2-b]pyridine-2,14'-tetracyclo[8.7.0.02,7.011,16]heptadeca-7',15'-diene]-5'-ol::CHEMBL366154

SMILES: C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C

InChI Key: InChIKey=RAHCWWLGPKNZDP-ZBABXINMSA-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 = 50170649   

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
C-8 sterol isomerase (Saccharomyces cerevisiae)	BDBM50170649 (2',3,6,7a,15'-Pentamethyl-(1'S,2'R,2'R,3R,3aS,5'S,...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19| Show InChI InChI=1S/C28H43NO2/c1-16-14-27(5)25(29-15-16)18(3)28(31-27)11-9-21-22-7-6-19-12-20(30)8-10-26(19,4)24(22)13-23(21)17(28)2/h6,16,18,20-22,24-25,29-30H,7-15H2,1-5H3/t16-,18+,20-,21-,22-,24-,25-,26-,27+,28-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for ERG2 of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
Anti-estrogen binding site (AEBS) (Homo sapiens (Human))	BDBM50170649 (2',3,6,7a,15'-Pentamethyl-(1'S,2'R,2'R,3R,3aS,5'S,...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19| Show InChI InChI=1S/C28H43NO2/c1-16-14-27(5)25(29-15-16)18(3)28(31-27)11-9-21-22-7-6-19-12-20(30)8-10-26(19,4)24(22)13-23(21)17(28)2/h6,16,18,20-22,24-25,29-30H,7-15H2,1-5H3/t16-,18+,20-,21-,22-,24-,25-,26-,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	654	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for human EMP expressed in ERG2 deficient strain of Sacchromyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50170649 (2',3,6,7a,15'-Pentamethyl-(1'S,2'R,2'R,3R,3aS,5'S,...) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19| Show InChI InChI=1S/C28H43NO2/c1-16-14-27(5)25(29-15-16)18(3)28(31-27)11-9-21-22-7-6-19-12-20(30)8-10-26(19,4)24(22)13-23(21)17(28)2/h6,16,18,20-22,24-25,29-30H,7-15H2,1-5H3/t16-,18+,20-,21-,22-,24-,25-,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand				J Med Chem 48: 4754-64 (2005) Article DOI: 10.1021/jm049073+ BindingDB Entry DOI: 10.7270/Q2639QHB
					More data for this Ligand-Target Pair