BDBM50410444 CHEMBL2113099

SMILES: O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12

InChI Key: InChIKey=AJBNCPAXQVKUKD-UHFFFAOYSA-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 = 50410444   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50410444 (CHEMBL2113099) Show SMILES O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12 |c:7| Show InChI InChI=1S/C21H16N2O2/c24-20-18-9-1-2-10-19(18)21(25)23(20)17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-4,7,9-10,13-14,17H,5-6,8H2	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against CYP1A2 using recombinant CYP450 under Gentest-based protocol				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50410444 (CHEMBL2113099) Show SMILES O=C1N(C2CCCC(=C2)C#Cc2ccccn2)C(=O)c2ccccc12 |c:7| Show InChI InChI=1S/C21H16N2O2/c24-20-18-9-1-2-10-19(18)21(25)23(20)17-8-5-6-15(14-17)11-12-16-7-3-4-13-22-16/h1-4,7,9-10,13-14,17H,5-6,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Ca+2 flux mediated by human mGlu5 receptor expressed in Ltk cells using fura-2 dye				Bioorg Med Chem Lett 15: 4589-93 (2005) Article DOI: 10.1016/j.bmcl.2005.06.099 BindingDB Entry DOI: 10.7270/Q2DB81C5
					More data for this Ligand-Target Pair