BDBM12109 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 17::4-(4-Methyl-piperazin-1-yl)-N-(5-phenylacetyl-1,4,5,6-tetrahydro-pyrrolo[3,4-c]pyrazol-3-yl)-benzamide::4-(4-methylpiperazin-1-yl)-N-[5-(2-phenylacetyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide::5-Amido-pyrrolopyrazole 2::CHEMBL190252

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1

InChI Key: InChIKey=LZTPJGBYVKLMTF-UHFFFAOYSA-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 = 12109   

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))	BDBM12109 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 17 | 4-(4...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1 Show InChI InChI=1S/C25H28N6O2/c1-29-11-13-30(14-12-29)20-9-7-19(8-10-20)25(33)26-24-21-16-31(17-22(21)27-28-24)23(32)15-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H2,26,27,28,33)	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	140	n/a	n/a	n/a	n/a	7.5	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 49: 7247-51 (2006) Article DOI: 10.1021/jm060897w BindingDB Entry DOI: 10.7270/Q2NS0S4R
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12109 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 17 | 4-(4...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1 Show InChI InChI=1S/C25H28N6O2/c1-29-11-13-30(14-12-29)20-9-7-19(8-10-20)25(33)26-24-21-16-31(17-22(21)27-28-24)23(32)15-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H2,26,27,28,33)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12109 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 17 | 4-(4...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1 Show InChI InChI=1S/C25H28N6O2/c1-29-11-13-30(14-12-29)20-9-7-19(8-10-20)25(33)26-24-21-16-31(17-22(21)27-28-24)23(32)15-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H2,26,27,28,33)	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	140	n/a	n/a	n/a	n/a	7.5	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 48: 3080-4 (2005) Article DOI: 10.1021/jm049076m BindingDB Entry DOI: 10.7270/Q2FF3QKK
					More data for this Ligand-Target Pair