BDBM285802 US10080744, Example 12/1

SMILES: CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F

InChI Key: InChIKey=PKRZLJYGABQSAI-KRWDZBQOSA-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 = 285802   

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))	BDBM285802 (US10080744, Example 12/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-4-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(11-38-9-5-8-25(29,30)12-38)34-23(44-21)22-35-18(43-36-22)10-24(2,3)42-13-39/h6-7,13,17,37H,4-5,8-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	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))	BDBM285802 (US10080744, Example 12/1) Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F |r| Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-4-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(11-38-9-5-8-25(29,30)12-38)34-23(44-21)22-35-18(43-36-22)10-24(2,3)42-13-39/h6-7,13,17,37H,4-5,8-12H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.0500	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