BDBM11429 4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide::pyrazolo[1,5-a]pyrimidine 9b

SMILES: CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1

InChI Key: InChIKey=OFKPBSZSSNDQJL-WGSAOQKQSA-N

Data: 3 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 11429   

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
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM11429 (4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyra...) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;.6,-2.39,;1.6,-3.56,;3.03,-2.97,;2.91,-1.44,;-3.2,7.02,;-4.53,7.79,)| Show InChI InChI=1S/C25H35N7O2S/c1-31(2)35(33,34)21-13-11-20(12-14-21)29-24-15-23(28-19-9-7-18(26)8-10-19)30-25-22(16-27-32(24)25)17-5-3-4-6-17/h11-19,29H,3-10,26H2,1-2H3,(H,28,30)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
Vernalis (R&D) Ltd					Assay Description In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...				Bioorg Med Chem Lett 15: 863-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.073 BindingDB Entry DOI: 10.7270/Q2ZK5DWP
					More data for this Ligand-Target Pair				3D Structure (docked)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM11429 (4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyra...) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;.6,-2.39,;1.6,-3.56,;3.03,-2.97,;2.91,-1.44,;-3.2,7.02,;-4.53,7.79,)| Show InChI InChI=1S/C25H35N7O2S/c1-31(2)35(33,34)21-13-11-20(12-14-21)29-24-15-23(28-19-9-7-18(26)8-10-19)30-25-22(16-27-32(24)25)17-5-3-4-6-17/h11-19,29H,3-10,26H2,1-2H3,(H,28,30)/t18-,19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Road Curated by ChEMBL					Assay Description Inhibition of human GSK3beta				Eur J Med Chem 44: 2361-71 (2009) Article DOI: 10.1016/j.ejmech.2008.08.012 BindingDB Entry DOI: 10.7270/Q2057FZX
					More data for this Ligand-Target Pair
Glycogen Synthase Kinase-3, beta (Rattus norvegicus (rat))	BDBM11429 (4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyra...) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;.6,-2.39,;1.6,-3.56,;3.03,-2.97,;2.91,-1.44,;-3.2,7.02,;-4.53,7.79,)| Show InChI InChI=1S/C25H35N7O2S/c1-31(2)35(33,34)21-13-11-20(12-14-21)29-24-15-23(28-19-9-7-18(26)8-10-19)30-25-22(16-27-32(24)25)17-5-3-4-6-17/h11-19,29H,3-10,26H2,1-2H3,(H,28,30)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	30
Martin-Luther-University Halle-Wittenberg					Assay Description In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...				Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853
					More data for this Ligand-Target Pair