BDBM285735 US10080744, Example 3/3

SMILES: C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F

InChI Key: InChIKey=ZHTPYXZPCVSSGB-HNNXBMFYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 285735   

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))	BDBM285735 (US10080744, Example 3/3) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.350	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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM285735 (US10080744, Example 3/3) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM285735 (US10080744, Example 3/3) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM285735 (US10080744, Example 3/3) Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F |r| Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	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