BDBM12986 4-(4-methylpiperazin-1-yl)-N-{5-[(2S)-2-phenylpropanoyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}benzamide::5-Amido-pyrrolopyrazole 9e::CHEMBL217748

SMILES: C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1

InChI Key: InChIKey=CAQRLZFEWBTCCO-SFHVURJKSA-N

Data: 4 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 4 hits for monomerid = 12986   

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))	BDBM12986 (4-(4-methylpiperazin-1-yl)-N-{5-[(2S)-2-phenylprop...) Show SMILES C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O2/c1-18(19-6-4-3-5-7-19)26(34)32-16-22-23(17-32)28-29-24(22)27-25(33)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h3-11,18H,12-17H2,1-2H3,(H2,27,28,29,33)/t18-/m0/s1	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	452	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))	BDBM12986 (4-(4-methylpiperazin-1-yl)-N-{5-[(2S)-2-phenylprop...) Show SMILES C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O2/c1-18(19-6-4-3-5-7-19)26(34)32-16-22-23(17-32)28-29-24(22)27-25(33)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h3-11,18H,12-17H2,1-2H3,(H2,27,28,29,33)/t18-/m0/s1	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	452	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 B (Homo sapiens (Human))	BDBM12986 (4-(4-methylpiperazin-1-yl)-N-{5-[(2S)-2-phenylprop...) Show SMILES C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O2/c1-18(19-6-4-3-5-7-19)26(34)32-16-22-23(17-32)28-29-24(22)27-25(33)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h3-11,18H,12-17H2,1-2H3,(H2,27,28,29,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora B 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 B (Homo sapiens (Human))	BDBM12986 (4-(4-methylpiperazin-1-yl)-N-{5-[(2S)-2-phenylprop...) Show SMILES C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r| Show InChI InChI=1S/C26H30N6O2/c1-18(19-6-4-3-5-7-19)26(34)32-16-22-23(17-32)28-29-24(22)27-25(33)20-8-10-21(11-9-20)31-14-12-30(2)13-15-31/h3-11,18H,12-17H2,1-2H3,(H2,27,28,29,33)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	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