BDBM4345 (2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoic acid::benzylidenemalononitrile (BMN) deriv. 29

SMILES: CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1

InChI Key: InChIKey=CXZXLLVNQYUMAW-JXMROGBWSA-N

Data: 2 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 2 hits for monomerid = 4345   

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
Monocarboxylate transporter 1 (MCT1) (Rattus norvegicus (Rat))	BDBM4345 ((2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-eno...) Show SMILES CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical School Duluth Curated by ChEMBL					Assay Description Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay				ACS Med Chem Lett 6: 558-61 (2015) Article DOI: 10.1021/acsmedchemlett.5b00049 BindingDB Entry DOI: 10.7270/Q2ZC84MV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM4345 ((2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-eno...) Show SMILES CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1 Show InChI InChI=1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem					Assay Description The activity of EGFR, preactivated with EGF, is measured by its ability to transfer terminal phosphate from [gamma-32P]ATP to poly(GAT) substrate.				J Med Chem 32: 2344-52 (1989) Article DOI: 10.1021/jm00130a020 BindingDB Entry DOI: 10.7270/Q2G44NHF
					More data for this Ligand-Target Pair