BDBM285765 US10080744, Example 3/32

SMILES: CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F

InChI Key: InChIKey=OUBAHWANPMNYTF-SFHVURJKSA-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 = 285765   

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))	BDBM285765 (US10080744, Example 3/32) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C28H25F7N4O5S2/c1-4-18(28(33,34)35)39-46(42,43)17-10-9-15(20(21(17)30)23(31)32)22-16(11-13-5-7-14(29)8-6-13)36-25(45-22)24-38-37-19(44-24)12-27(2,3)26(40)41/h5-10,18,23,39H,4,11-12H2,1-3H3,(H,40,41)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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))	BDBM285765 (US10080744, Example 3/32) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F |r| Show InChI InChI=1S/C28H25F7N4O5S2/c1-4-18(28(33,34)35)39-46(42,43)17-10-9-15(20(21(17)30)23(31)32)22-16(11-13-5-7-14(29)8-6-13)36-25(45-22)24-38-37-19(44-24)12-27(2,3)26(40)41/h5-10,18,23,39H,4,11-12H2,1-3H3,(H,40,41)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0440	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