BDBM339254 US10201546, Example 127b

SMILES: COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C

InChI Key: InChIKey=KIYYXCXJVBCDDW-XMMPIXPASA-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 = 339254   

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))	BDBM339254 (US10201546, Example 127b) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C |r| Show InChI InChI=1S/C25H30ClF3N6O4S/c1-33-21(11-30-32-33)24(36,17-12-35(13-17)40(3,37)38)16-4-5-20-18(10-16)22(26)19(23(31-20)39-2)14-34-8-6-15(7-9-34)25(27,28)29/h4-5,10-11,15,17,36H,6-9,12-14H2,1-3H3/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM339254 (US10201546, Example 127b) Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C |r| Show InChI InChI=1S/C25H30ClF3N6O4S/c1-33-21(11-30-32-33)24(36,17-12-35(13-17)40(3,37)38)16-4-5-20-18(10-16)22(26)19(23(31-20)39-2)14-34-8-6-15(7-9-34)25(27,28)29/h4-5,10-11,15,17,36H,6-9,12-14H2,1-3H3/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description ThermoFluor is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability (...				US Patent US10201546 (2019) BindingDB Entry DOI: 10.7270/Q2F47R8C
					More data for this Ligand-Target Pair