BDBM12104 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 12::4-tert-butyl-N-[5-(furan-2-carbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]benzamide::4-tert-butyl-N-[5-(furan-2-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide::CHEMBL191816

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1

InChI Key: InChIKey=YSYZWVWSPCLBNZ-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 = 12104   

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))	BDBM12104 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 12 | 4-te...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1 Show InChI InChI=1S/C21H22N4O3/c1-21(2,3)14-8-6-13(7-9-14)19(26)22-18-15-11-25(12-16(15)23-24-18)20(27)17-5-4-10-28-17/h4-10H,11-12H2,1-3H3,(H2,22,23,24,26)	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	41	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))	BDBM12104 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 12 | 4-te...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1 Show InChI InChI=1S/C21H22N4O3/c1-21(2,3)14-8-6-13(7-9-14)19(26)22-18-15-11-25(12-16(15)23-24-18)20(27)17-5-4-10-28-17/h4-10H,11-12H2,1-3H3,(H2,22,23,24,26)	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	41	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