BDBM359536 (R or S)-4-(1-(2- chloro-6-cyclopropyl- 3-fluorobenzoyl)-6- (3-fluoro-[1,3'- biazetidine]-1'- carbonyl)-4,5,6,7- tetrahydro-1H- indazol-3-yl)-3- fluorobenzoic acid::US10221142, Example 21B

SMILES: OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)c(F)ccc3C3CC3)c3CC(CCc23)C(=O)N2CC(C2)N2CC(F)C2)c(F)c1

InChI Key: InChIKey=VSWDSABDRQRPPH-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 = 359536   

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))	BDBM359536 ((R or S)-4-(1-(2- chloro-6-cyclopropyl- 3-fluorobe...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)c(F)ccc3C3CC3)c3CC(CCc23)C(=O)N2CC(C2)N2CC(F)C2)c(F)c1 Show InChI InChI=1S/C31H28ClF3N4O4/c32-27-23(34)8-7-20(15-1-2-15)26(27)30(41)39-25-10-16(29(40)38-13-19(14-38)37-11-18(33)12-37)3-6-22(25)28(36-39)21-5-4-17(31(42)43)9-24(21)35/h4-5,7-9,15-16,18-19H,1-3,6,10-14H2,(H,42,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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