null

SMILES: Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C

InChI Key: InChIKey=SZRPDCCEHVWOJX-UHFFFAOYSA-N

PDB links: 7 PDB IDs match this monomer.

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 84 hits for monomerid = 24566   

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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Transactivation of human PPARalpha expressed in african green monkey CV1 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 22: 4122-6 (2012) Article DOI: 10.1016/j.bmcl.2012.04.062 BindingDB Entry DOI: 10.7270/Q2TM7C5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.				Eur J Med Chem 127: 379-397 (2017) Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	n/a	2.30	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.				Eur J Med Chem 127: 379-397 (2017) Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.				Eur J Med Chem 127: 379-397 (2017) Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.				Eur J Med Chem 127: 379-397 (2017) Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.				Eur J Med Chem 127: 379-397 (2017) Article DOI: 10.1016/j.ejmech.2016.12.047 BindingDB Entry DOI: 10.7270/Q2474D4J
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Transactivation of human Gal4-fused PPARalpha LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 137: 310-326 (2017) Article DOI: 10.1016/j.ejmech.2017.06.006 BindingDB Entry DOI: 10.7270/Q2KS6V2B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assay				J Med Chem 61: 8282-8298 (2018) Article DOI: 10.1021/acs.jmedchem.8b00835 BindingDB Entry DOI: 10.7270/Q2D79F2F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARalpha A454M mutant (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
University of Valencia Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer...				J Nat Prod 82: 1802-1812 (2019) Article DOI: 10.1021/acs.jnatprod.9b00003 BindingDB Entry DOI: 10.7270/Q2ZW1Q7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.10E+3	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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.40E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.60E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetry				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.10E+3	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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-beta (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.60E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetry				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetry				J Med Chem 62: 2112-2126 (2019) Article DOI: 10.1021/acs.jmedchem.8b01848 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.40E+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 BindingDB Entry DOI: 10.7270/Q2J38X18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at recombinant human PPARalpha LBD (168 to 468 residues) expressed in African green monkey COS-1 cells incubated for 18 hrs by lucif...				Citation and Details Article DOI: 10.1016/j.ejmech.2018.06.034 BindingDB Entry DOI: 10.7270/Q2N301NG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24566 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114240 BindingDB Entry DOI: 10.7270/Q23T9N94
					More data for this Ligand-Target Pair				3D Structure (crystal)