BDBM12098 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 16::N-butyl-3-[2-(naphthalen-2-yl)acetamido]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide

SMILES: CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1

InChI Key: InChIKey=GRIBJJIZUIEJFG-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 = 12098   

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))	BDBM12098 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1 Show InChI InChI=1S/C22H25N5O2/c1-2-3-10-23-22(29)27-13-18-19(14-27)25-26-21(18)24-20(28)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,29)(H2,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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...				Bioorg Med Chem Lett 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM12098 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1 Show InChI InChI=1S/C22H25N5O2/c1-2-3-10-23-22(29)27-13-18-19(14-27)25-26-21(18)24-20(28)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,29)(H2,24,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.4	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...				Bioorg Med Chem Lett 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair