BDBM12103 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 11::4-tert-butyl-N-[5-(thien-2-ylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]benzamide::4-tert-butyl-N-{5-[2-(thiophen-2-yl)acetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}benzamide::CHEMBL484007

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1

InChI Key: InChIKey=BRAPWNJIQFCXTK-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 = 12103   

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))	BDBM12103 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 11 | 4-te...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1 Show InChI InChI=1S/C22H24N4O2S/c1-22(2,3)15-8-6-14(7-9-15)21(28)23-20-17-12-26(13-18(17)24-25-20)19(27)11-16-5-4-10-29-16/h4-10H,11-13H2,1-3H3,(H2,23,24,25,28)	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	5	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
Aurora kinase A (Homo sapiens (Human))	BDBM12103 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 11 | 4-te...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1 Show InChI InChI=1S/C22H24N4O2S/c1-22(2,3)15-8-6-14(7-9-15)21(28)23-20-17-12-26(13-18(17)24-25-20)19(27)11-16-5-4-10-29-16/h4-10H,11-13H2,1-3H3,(H2,23,24,25,28)	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	5	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))	BDBM12103 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 11 | 4-te...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1 Show InChI InChI=1S/C22H24N4O2S/c1-22(2,3)15-8-6-14(7-9-15)21(28)23-20-17-12-26(13-18(17)24-25-20)19(27)11-16-5-4-10-29-16/h4-10H,11-13H2,1-3H3,(H2,23,24,25,28)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A kinase expressed in insect cells				Bioorg Med Chem 19: 907-16 (2011) Article DOI: 10.1016/j.bmc.2010.11.064 BindingDB Entry DOI: 10.7270/Q2V40VGC
					More data for this Ligand-Target Pair