Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50011423   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546858 (CHEMBL4743099) Show SMILES Cc1ccccc1-c1ccc(cc1)\N=N/c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	900	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARy in human HepG2 cells transfected with human PPRE incubated for 14 to 16 hrs using pre-irradiated compound by firefly lucife...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085048 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546859 (CHEMBL4787702) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)\N=N\c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI	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	1.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546860 (CHEMBL4762401) Show SMILES O=C1NC(=O)C(Cc2ccc(cc2)\N=N\c2ccccc2)S1 Show InChI	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	2.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546861 (CHEMBL4755265) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)\N=N\c1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI	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	1.60E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546862 (CHEMBL4745294) Show SMILES Clc1ccc(cc1)\N=N\c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	2.90E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546863 (CHEMBL4751747) Show SMILES FC(F)(F)c1ccc(cc1)\N=N\c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	2.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546864 (CHEMBL4742137) Show SMILES Cc1ccccc1-c1ccc(cc1)\N=N\c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	2.80E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546858 (CHEMBL4743099) Show SMILES Cc1ccccc1-c1ccc(cc1)\N=N/c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	6.40E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546865 (CHEMBL4792723) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)\N=N/c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI	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	1.30E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546866 (CHEMBL4784654) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)\N=N/c1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI	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	5.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546867 (CHEMBL4756972) Show SMILES O=C1NC(=O)C(Cc2ccc(cc2)\N=N/c2ccccc2)S1 Show InChI	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	6.30E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546868 (CHEMBL4799629) Show SMILES Clc1ccc(cc1)\N=N/c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	7.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546869 (CHEMBL4792982) Show SMILES FC(F)(F)c1ccc(cc1)\N=N/c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	6.50E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at PPARgamma (unknown origin) expressed in HEK293T cells incubated for 14 to 16 hrs under irradiation by hybrid Gal4 reporter gene a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50546858 (CHEMBL4743099) Show SMILES Cc1ccccc1-c1ccc(cc1)\N=N/c1ccc(CC2SC(=O)NC2=O)cc1 Show InChI	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	9.30E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to recombinant PPARy LBD (unknown origin) expressed in Escherichia coli BL21 DE3 using pre-irradiated compound by ITC assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00654 BindingDB Entry DOI: 10.7270/Q2154MN4
					More data for this Ligand-Target Pair