BDBM50330563 CHEMBL1277294::N-(4-Nitrobenzyl)-4-furan-2-methyl-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxamide

SMILES: CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1

InChI Key: InChIKey=PPOWHZRYXUCWMA-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 = 50330563   

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
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50330563 (CHEMBL1277294 | N-(4-Nitrobenzyl)-4-furan-2-methyl...) Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C22H17N5O4/c1-13-19(21(28)24-14-8-10-15(11-9-14)27(29)30)20(18-7-4-12-31-18)26-17-6-3-2-5-16(17)25-22(26)23-13/h2-12,19-20H,1H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50330563 (CHEMBL1277294 | N-(4-Nitrobenzyl)-4-furan-2-methyl...) Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C22H17N5O4/c1-13-19(21(28)24-14-8-10-15(11-9-14)27(29)30)20(18-7-4-12-31-18)26-17-6-3-2-5-16(17)25-22(26)23-13/h2-12,19-20H,1H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human purified recombinant aurora-A kinase				Bioorg Med Chem 18: 8035-43 (2010) Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q
					More data for this Ligand-Target Pair