BDBM50203509 CHEMBL3948459

SMILES: CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3)c2c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=ZGDDULRRLLCPBU-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 = 50203509   

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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50203509 (CHEMBL3948459) Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3)c2c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H19N3O3S/c1-25(2)22(27)16-10-13-20-19(14-16)21(30-18-6-4-3-5-7-18)24-26(20)17-11-8-15(9-12-17)23(28)29/h3-14H,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Galderma R&D Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused RORgammat LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 26: 5802-5808 (2016) Article DOI: 10.1016/j.bmcl.2016.10.023 BindingDB Entry DOI: 10.7270/Q2D79DDH
					More data for this Ligand-Target Pair
Retinoid receptor (Homo sapiens (Human))	BDBM50203509 (CHEMBL3948459) Show SMILES CN(C)C(=O)c1ccc2n(nc(Sc3ccccc3)c2c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H19N3O3S/c1-25(2)22(27)16-10-13-20-19(14-16)21(30-18-6-4-3-5-7-18)24-26(20)17-11-8-15(9-12-17)23(28)29/h3-14H,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Galderma R&D Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused RARgamma LBD (unknown origin) expressed in human HG5LN cells after 18 hrs by luciferase reporter gene assa...				Bioorg Med Chem Lett 26: 5802-5808 (2016) Article DOI: 10.1016/j.bmcl.2016.10.023 BindingDB Entry DOI: 10.7270/Q2D79DDH
					More data for this Ligand-Target Pair