BDBM359577 4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)cyclo- propyl]phenyl}car- bonyl)-6-{[(3S,4S)-3- hydroxy-4- methoxypyrrolidin-1- yl]carbonyl}-4,5,6,7- tetrahydro-1H- indazol-3-yl]-3- fluorobenzoic acid::US10221142, Example 21RR

SMILES: CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F

InChI Key: InChIKey=QPTZLBGSVDYAHQ-GJZOWNOPSA-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 = 359577   

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))	BDBM359577 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C31H28ClF4N3O6/c1-45-24-14-38(13-23(24)40)27(41)15-5-8-18-22(12-15)39(37-26(18)17-7-6-16(29(43)44)11-21(17)33)28(42)25-19(3-2-4-20(25)32)30(9-10-30)31(34,35)36/h2-4,6-7,11,15,23-24,40H,5,8-10,12-14H2,1H3,(H,43,44)/t15?,23-,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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