BDBM50052962 6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylsulfanyl)-nicotinic acid::CHEMBL116886

SMILES: Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C

InChI Key: InChIKey=PMHYUNDXKUCCIA-UHFFFAOYSA-N

Data: 3 Kd  3 EC50

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 6 hits for monomerid = 50052962   

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
Retinoid receptor (Homo sapiens (Human))	BDBM50052962 (6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	57	n/a	n/a	n/a	n/a
Allergan, Inc Curated by ChEMBL					Assay Description Transcriptional activation of Retinoid X receptor RXR beta				J Med Chem 39: 3556-63 (1996) Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV
					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50052962 (6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	42	n/a	n/a	n/a	n/a
Allergan, Inc Curated by ChEMBL					Assay Description Transcriptional activation of Retinoid X receptor RXR gamma				J Med Chem 39: 3556-63 (1996) Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV
					More data for this Ligand-Target Pair
Retinoid X receptor alpha (Mus musculus)	BDBM50052962 (6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
Allergan, Inc Curated by ChEMBL					Assay Description Dissociation constant for binding to Retinoid X receptor alpha				J Med Chem 39: 3556-63 (1996) Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50052962 (6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
Allergan, Inc Curated by ChEMBL					Assay Description Transcriptional activation of Retinoid X receptor RXR alpha				J Med Chem 39: 3556-63 (1996) Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV
					More data for this Ligand-Target Pair
Retinoid X receptor gamma (Mus musculus)	BDBM50052962 (6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
Allergan, Inc Curated by ChEMBL					Assay Description Dissociation constant for binding to Retinoid X receptor gamma				J Med Chem 39: 3556-63 (1996) Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV
					More data for this Ligand-Target Pair
Retinoid X receptor beta (Mus musculus)	BDBM50052962 (6-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphth...) Show SMILES Cc1cc2c(cc1Sc1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a
Allergan, Inc Curated by ChEMBL					Assay Description Dissociation constant for binding to Retinoid X receptor beta				J Med Chem 39: 3556-63 (1996) Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV
					More data for this Ligand-Target Pair