BDBM50508111 CHEMBL4520827

SMILES: CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1

InChI Key: InChIKey=JXBMFKLNAISDAV-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50508111   

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))	BDBM50508111 (CHEMBL4520827) Show SMILES CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,7| Show InChI InChI=1S/C27H33N7S/c1-5-6-11-25-28-19(2)22(16-26(35)33(3)4)18-34(25)17-20-12-14-21(15-13-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H,29,30,31,32)	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	460	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
Angiotensin II receptor (Homo sapiens (Human))	BDBM50508111 (CHEMBL4520827) Show SMILES CCCCC1=NC(C)=C(CC(=S)N(C)C)CN1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4,7| Show InChI InChI=1S/C27H33N7S/c1-5-6-11-25-28-19(2)22(16-26(35)33(3)4)18-34(25)17-20-12-14-21(15-13-20)23-9-7-8-10-24(23)27-29-31-32-30-27/h7-10,12-15H,5-6,11,16-18H2,1-4H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Boryung Pharmaceuticals Co. Ltd. Curated by ChEMBL					Assay Description Antagonist activity at type-1 angiotensin 2 receptor (unknown origin) by calcium mobilizing 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