BDBM50111601 CHEMBL3605084

SMILES: CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3)s2)-c2ccccc2)cc1

InChI Key: InChIKey=IRLSEBVESJQRHW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50111601   

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 (Mus musculus)	BDBM50111601 (CHEMBL3605084) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3)s2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-14-8-17(9-15-21)16-22(29)27-25-28-23(18-6-4-3-5-7-18)24(33-25)32-20-12-10-19(26)11-13-20/h3-15H,2,16H2,1H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in mouse Th17 cells assessed as inhibition of IL-17 production after 3 days by ELISA				Bioorg Med Chem 23: 5293-302 (2015) BindingDB Entry DOI: 10.7270/Q27W6DZJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50111601 (CHEMBL3605084) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3)s2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-14-8-17(9-15-21)16-22(29)27-25-28-23(18-6-4-3-5-7-18)24(33-25)32-20-12-10-19(26)11-13-20/h3-15H,2,16H2,1H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as inhibition of N-(2-chloro-6-fluorobenzyl)-N-((2'-methoxy-[1,1'-bip...				Bioorg Med Chem 23: 5293-302 (2015) BindingDB Entry DOI: 10.7270/Q27W6DZJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50111601 (CHEMBL3605084) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(Oc3ccc(Cl)cc3)s2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H21ClN2O4S2/c1-2-34(30,31)21-14-8-17(9-15-21)16-22(29)27-25-28-23(18-6-4-3-5-7-18)24(33-25)32-20-12-10-19(26)11-13-20/h3-15H,2,16H2,1H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inverse agonist activity at APC-labeled RORgammat-LBD (unknown origin) assessed as inhibition of europium-labeled SRC1 recruitment after 1 hr by dual...				Bioorg Med Chem 23: 5293-302 (2015) BindingDB Entry DOI: 10.7270/Q27W6DZJ
					More data for this Ligand-Target Pair