BDBM50530341 CHEMBL4471255

SMILES: Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1

InChI Key: InChIKey=GYJGAUOHVBBANG-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50530341   

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 X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused PPARalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused RXRgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.64E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused PPARdelta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused PPARgamma LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused RXRbeta LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma (Homo sapiens (Human))	BDBM50530341 (CHEMBL4471255) Show SMILES Cc1ccccc1Nc1cc(Cl)nc(SCC(O)=O)n1 Show InChI InChI=1S/C13H12ClN3O2S/c1-8-4-2-3-5-9(8)15-11-6-10(14)16-13(17-11)20-7-12(18)19/h2-6H,7H2,1H3,(H,18,19)(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.64E+4	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assay				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848
					More data for this Ligand-Target Pair