BDBM50335317 CHEMBL1651480::N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamino)-1H-phthalazin-2-ylmethyl]phenyl}acetamide

SMILES: CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1

InChI Key: InChIKey=JRBMAZMBQUFLGS-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 = 50335317   

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
Aurora kinase A (Homo sapiens (Human))	BDBM50335317 (CHEMBL1651480 | N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamin...) Show SMILES CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1 Show InChI InChI=1S/C21H20N6O2/c1-13-11-19(25-24-13)23-20-17-5-3-4-6-18(17)21(29)27(26-20)12-15-7-9-16(10-8-15)22-14(2)28/h3-11H,12H2,1-2H3,(H,22,28)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of Aurora A by ELISA				J Med Chem 54: 312-9 (2011) Article DOI: 10.1021/jm101346r BindingDB Entry DOI: 10.7270/Q29P32MB
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50335317 (CHEMBL1651480 | N-{4-[1-Oxo-4-(1H-pyrazol-3-ylamin...) Show SMILES CC(=O)Nc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1 Show InChI InChI=1S/C21H20N6O2/c1-13-11-19(25-24-13)23-20-17-5-3-4-6-18(17)21(29)27(26-20)12-15-7-9-16(10-8-15)22-14(2)28/h3-11H,12H2,1-2H3,(H,22,28)(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of Aurora B by ELISA				J Med Chem 54: 312-9 (2011) Article DOI: 10.1021/jm101346r BindingDB Entry DOI: 10.7270/Q29P32MB
					More data for this Ligand-Target Pair