BDBM256351 US9487490, 2D

SMILES: COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@](C)(CC1)C(O)=O

InChI Key: InChIKey=AQIMDWJRLMBKSY-SSEXGKCCSA-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 = 256351   

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
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM256351 (US9487490, 2D) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@](C)(CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C30H30ClN3O5/c1-30(29(37)38)12-10-18(11-13-30)26-22-9-8-19(27(35)33-15-20(16-33)39-2)14-24(22)34(32-26)28(36)25-21(17-6-7-17)4-3-5-23(25)31/h3-5,8-10,14,17,20H,6-7,11-13,15-16H2,1-2H3,(H,37,38)/t30-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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
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