BDBM285733 US10080744, Example 3/1

SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12

InChI Key: InChIKey=YBCXZVSDLNNTIA-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 = 285733   

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))	BDBM285733 (US10080744, Example 3/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12 Show InChI InChI=1S/C31H38N4O5S2/c1-30(2,3)35-42(38,39)24-16-15-22(20-13-9-10-14-21(20)24)26-23(17-19-11-7-6-8-12-19)32-28(41-26)27-34-33-25(40-27)18-31(4,5)29(36)37/h9-10,13-16,19,35H,6-8,11-12,17-18H2,1-5H3,(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM285733 (US10080744, Example 3/1) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12 Show InChI InChI=1S/C31H38N4O5S2/c1-30(2,3)35-42(38,39)24-16-15-22(20-13-9-10-14-21(20)24)26-23(17-19-11-7-6-8-12-19)32-28(41-26)27-34-33-25(40-27)18-31(4,5)29(36)37/h9-10,13-16,19,35H,6-8,11-12,17-18H2,1-5H3,(H,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...				US Patent US10080744 (2018) BindingDB Entry DOI: 10.7270/Q21J9CVM
					More data for this Ligand-Target Pair