BDBM50508112 CHEMBL4546437

SMILES: CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1

InChI Key: InChIKey=AGTBDYUKVYUOHD-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 50508112   

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 (Homo sapiens (Human))	BDBM50508112 (CHEMBL4546437) Show SMILES CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity to PPARdelta (unknown origin) by TR-FRET competitive binding assay				Bioorg Med Chem Lett 29: 631-637 (2019) Article DOI: 10.1016/j.bmcl.2018.12.043
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50508112 (CHEMBL4546437) Show SMILES CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) by TR-FRET competitive binding assay				Bioorg Med Chem Lett 29: 631-637 (2019) Article DOI: 10.1016/j.bmcl.2018.12.043
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50508112 (CHEMBL4546437) Show SMILES CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma				Bioorg Med Chem Lett 29: 631-637 (2019) Article DOI: 10.1016/j.bmcl.2018.12.043
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50508112 (CHEMBL4546437) Show SMILES CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) by TR-FRET competitive binding assay				Bioorg Med Chem Lett 29: 631-637 (2019) Article DOI: 10.1016/j.bmcl.2018.12.043
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50508112 (CHEMBL4546437) Show SMILES CCCCc1nc(C(C)C)c(CC(=O)OCC)c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1noc(=O)[nH]1 Show InChI InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG by automated patch clamp method				Bioorg Med Chem Lett 29: 631-637 (2019) Article DOI: 10.1016/j.bmcl.2018.12.043
					More data for this Ligand-Target Pair