BDBM50176597 CHEMBL202545::ethyl 4-(4-benzoylphenylamino)-3-cyano-5-methylH-pyrrolo[1,2-b]pyridazine-6-carboxylate

SMILES: CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(cc3)C(=O)c3ccccc3)c2c1C

InChI Key: InChIKey=VBVIIGBYHUDSMC-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 = 50176597   

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))	BDBM50176597 (CHEMBL202545 | ethyl 4-(4-benzoylphenylamino)-3-cy...) Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(cc3)C(=O)c3ccccc3)c2c1C Show InChI InChI=1S/C25H20N4O3/c1-3-32-25(31)21-15-29-23(16(21)2)22(19(13-26)14-27-29)28-20-11-9-18(10-12-20)24(30)17-7-5-4-6-8-17/h4-12,14-15,28H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against MEK				Bioorg Med Chem Lett 16: 628-32 (2005) Article DOI: 10.1016/j.bmcl.2005.10.052 BindingDB Entry DOI: 10.7270/Q2J67GHT
					More data for this Ligand-Target Pair