BDBM50330561 4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hpyrazole[3,4-b]pyridine-5-carboxamide::CHEMBL1277110

SMILES: CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1

InChI Key: InChIKey=AOKRNXAAQOAWLR-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 = 50330561   

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))	BDBM50330561 (4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...) Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)	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	>5.00E+4	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
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50330561 (4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...) Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24)	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	2.76E+3	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