BDBM50254985 CHEMBL4096838

SMILES: Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(Cl)c(c2)C(F)(F)F)nc(N)n1

InChI Key: InChIKey=KMGHEMILURICPO-UHFFFAOYSA-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 = 50254985   

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
S-adenosylmethionine decarboxylase 1 (Homo sapiens (Human))	BDBM50254985 (CHEMBL4096838) Show SMILES Cc1cc(Nc2cc(Cl)cc(c2)-c2ccc(Cl)c(c2)C(F)(F)F)nc(N)n1 Show InChI InChI=1S/C18H13Cl2F3N4/c1-9-4-16(27-17(24)25-9)26-13-6-11(5-12(19)8-13)10-2-3-15(20)14(7-10)18(21,22)23/h2-8H,1H3,(H3,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. (now Avista Pharma Solutions) , 3501 Tricenter Boulevard, Suite C, Durham, North Carolina 27713, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged AdoMetDC expressed in Escherichia coli BL21/DE3 cells at pH 7.2 by RapidFire-MS-based enzyme a...				J Med Chem 61: 1182-1203 (2018) Article DOI: 10.1021/acs.jmedchem.7b01654 BindingDB Entry DOI: 10.7270/Q22N54R6
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