BDBM359557 (R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cyclo- propyl)benzoyl)-6- (((1-isopropyl-1H- pyrazol-4- yl)methyl)(methyl)car- bamoyl)-4,5,6,7- tetrahydro-1H- indazol-3-yl)-3- fluorobenzoic acid::US10221142, Example 21W

SMILES: CC(C)n1cc(CN(C)C(=O)C2CCc3c(C2)n(nc3-c2ccc(cc2F)C(O)=O)C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)cn1

InChI Key: InChIKey=AIZCCSWXHFOXTC-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 359557   

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))	BDBM359557 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES CC(C)n1cc(CN(C)C(=O)C2CCc3c(C2)n(nc3-c2ccc(cc2F)C(O)=O)C(=O)c2c(Cl)cccc2C2(CC2)C(F)(F)F)cn1 Show InChI InChI=1S/C34H32ClF4N5O4/c1-18(2)43-17-19(15-40-43)16-42(3)30(45)20-7-10-23-27(14-20)44(41-29(23)22-9-8-21(32(47)48)13-26(22)36)31(46)28-24(5-4-6-25(28)35)33(11-12-33)34(37,38)39/h4-6,8-9,13,15,17-18,20H,7,10-12,14,16H2,1-3H3,(H,47,48)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair