BDBM359564 (R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cyclo- propyl)benzoyl)-6- (methyl(2-(1-methyl- 1H-pyrazol-4- yl)ethyl)carbamoyl)- 4,5,6,7-tetrahydro- 1H-indazol-3-yl)-3- fluorobenzoic acid::US10221142, Example 21DD

SMILES: CN(CCc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F

InChI Key: InChIKey=IMJDUWJGEKEZQQ-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 = 359564   

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))	BDBM359564 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES CN(CCc1cnn(C)c1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C33H30ClF4N5O4/c1-41(13-10-18-16-39-42(2)17-18)29(44)19-6-9-22-26(15-19)43(40-28(22)21-8-7-20(31(46)47)14-25(21)35)30(45)27-23(4-3-5-24(27)34)32(11-12-32)33(36,37)38/h3-5,7-8,14,16-17,19H,6,9-13,15H2,1-2H3,(H,46,47)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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