BDBM256341 US9487490, 1E

SMILES: OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12

InChI Key: InChIKey=PSTVSHJRDIVFDL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 256341   

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))	BDBM256341 (US9487490, 1E) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |c:6| Show InChI InChI=1S/C21H15ClF3N3O3/c22-14-4-1-3-13(21(23,24)25)16(14)19(29)28-15-5-2-10-26-18(15)17(27-28)11-6-8-12(9-7-11)20(30)31/h1-6,10,12H,7-9H2,(H,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	76	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
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM256341 (US9487490, 1E) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |c:6| Show InChI InChI=1S/C21H15ClF3N3O3/c22-14-4-1-3-13(21(23,24)25)16(14)19(29)28-15-5-2-10-26-18(15)17(27-28)11-6-8-12(9-7-11)20(30)31/h1-6,10,12H,7-9H2,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM256341 (US9487490, 1E) Show SMILES OC(=O)C1CCC(=CC1)c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 |c:6| Show InChI InChI=1S/C21H15ClF3N3O3/c22-14-4-1-3-13(21(23,24)25)16(14)19(29)28-15-5-2-10-26-18(15)17(27-28)11-6-8-12(9-7-11)20(30)31/h1-6,10,12H,7-9H2,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431
					More data for this Ligand-Target Pair