BDBM316887 US9617261, Example 00088

SMILES: Cn1c(Nc2ccc(I)cc2Cl)c(C(=O)NOCCO)c2CCCc2c1=O

InChI Key: InChIKey=GRGXQDYBWCKHKV-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 = 316887   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM316887 (US9617261, Example 00088) Show SMILES Cn1c(Nc2ccc(I)cc2Cl)c(C(=O)NOCCO)c2CCCc2c1=O Show InChI InChI=1S/C18H19ClIN3O4/c1-23-16(21-14-6-5-10(20)9-13(14)19)15(17(25)22-27-8-7-24)11-3-2-4-12(11)18(23)26/h5-6,9,21,24H,2-4,7-8H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
CMG PHARMACEUTICAL CO., LTD. US Patent					Assay Description The LANCE Ultra assay kit was purchased from PerkinElmer. The ULight-MBP peptide, Europium labeled Antibody and LANCE Detection buffer were purchased...				US Patent US9617261 (2017) BindingDB Entry DOI: 10.7270/Q2542QNH
					More data for this Ligand-Target Pair