BDBM256394 US9487490, 3A

SMILES: OC(=O)[C@@H]1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12

InChI Key: InChIKey=SEEZLBPQMXZWAU-HNNXBMFYSA-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 = 256394   

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 (RORgT) (Homo sapiens (Human))	BDBM256394 (US9487490, 3A) Show SMILES OC(=O)[C@@H]1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cccc(F)c12 |r,c:6| Show InChI InChI=1S/C24H20ClFN2O3/c25-17-4-1-3-16(13-7-8-13)20(17)23(29)28-19-6-2-5-18(26)21(19)22(27-28)14-9-11-15(12-10-14)24(30)31/h1-6,9,13,15H,7-8,10-12H2,(H,30,31)/t15-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.0	4
Merck Sharp & Dohme Corp. US Patent					Assay Description To identify novel antagonists of RORgammaT, an assay was developed which employs the interaction of RORgammaT with its co-activator peptide SRC1_2. T...				US Patent US9487490 (2016) BindingDB Entry DOI: 10.7270/Q2GQ6WQN
					More data for this Ligand-Target Pair