BDBM50504653 CHEMBL4527978

SMILES: CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1

InChI Key: InChIKey=IYLZLRHLJPCJMN-KEBDBYFISA-N

Data: 3 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 3 hits for monomerid = 50504653   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50504653 (CHEMBL4527978) Show SMILES CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H18N4O/c1-2-10-20-16-14(12-19)15-9-6-11-22(15)17(16)18(23)21-13-7-4-3-5-8-13/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,21,23)/b20-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin) incubated for 40 mins by ADP-glo assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50504653 (CHEMBL4527978) Show SMILES CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H18N4O/c1-2-10-20-16-14(12-19)15-9-6-11-22(15)17(16)18(23)21-13-7-4-3-5-8-13/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,21,23)/b20-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX1 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2 (Homo sapiens (Human))	BDBM50504653 (CHEMBL4527978) Show SMILES CC\C=N\c1c(C#N)c2CCCn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H18N4O/c1-2-10-20-16-14(12-19)15-9-6-11-22(15)17(16)18(23)21-13-7-4-3-5-8-13/h3-5,7-8,10H,2,6,9,11H2,1H3,(H,21,23)/b20-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of human COX2 using arachidonic acid as substrate incubated for 2 mins by ELISA method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111780
					More data for this Ligand-Target Pair