BDBM256393 US9487490, 2B

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

InChI Key: InChIKey=LELXANQYKFVMDB-GOSISDBHSA-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 = 256393   

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))	BDBM256393 (US9487490, 2B) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nn(C(=O)c3c(Cl)cccc3C3CC3)c2c1)C1=CC[C@H](CC1)C(O)=O |r,t:34| Show InChI InChI=1S/C29H28ClN3O5/c1-38-20-14-32(15-20)27(34)19-11-12-22-24(13-19)33(31-26(22)17-7-9-18(10-8-17)29(36)37)28(35)25-21(16-5-6-16)3-2-4-23(25)30/h2-4,7,11-13,16,18,20H,5-6,8-10,14-15H2,1H3,(H,36,37)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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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