BDBM50447838 CHEMBL3114296

SMILES: OC(=O)c1ccc(cc1)-c1cnc(s1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=FJOQYMZGRJDHMB-UHFFFAOYSA-N

Data: 2 IC50

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 = 50447838   

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))	BDBM50447838 (CHEMBL3114296) Show SMILES OC(=O)c1ccc(cc1)-c1cnc(s1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:19:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H25NO3S/c28-22-6-5-20(10-21(22)26-11-15-7-16(12-26)9-17(8-15)13-26)24-27-14-23(31-24)18-1-3-19(4-2-18)25(29)30/h1-6,10,14-17,28H,7-9,11-13H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Antagonist activity at Gal4-fused RARalpha (unknown origin) transfected in HEK293 cells assessed as inhibition of ATRA-induced transcriptional activi...				Bioorg Med Chem 22: 1285-302 (2014) Article DOI: 10.1016/j.bmc.2014.01.006 BindingDB Entry DOI: 10.7270/Q26W9CK1
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50447838 (CHEMBL3114296) Show SMILES OC(=O)c1ccc(cc1)-c1cnc(s1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:19:21:24:28.27.26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21| Show InChI InChI=1S/C26H25NO3S/c28-22-6-5-20(10-21(22)26-11-15-7-16(12-26)9-17(8-15)13-26)24-27-14-23(31-24)18-1-3-19(4-2-18)25(29)30/h1-6,10,14-17,28H,7-9,11-13H2,(H,29,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Vigo Curated by ChEMBL					Assay Description Inhibition of recombinant IKKbeta (unknown origin) using ulight-IkappaomegaBalpha as substrate after 2 hrs by LANCE ultra TR-FRET assay				Bioorg Med Chem 22: 1285-302 (2014) Article DOI: 10.1016/j.bmc.2014.01.006 BindingDB Entry DOI: 10.7270/Q26W9CK1
					More data for this Ligand-Target Pair