BDBM50378308 CHEMBL568509

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=APDYAVMWNNUKPS-MEMLXQNLSA-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 = 50378308   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50378308 (CHEMBL568509) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.23,-29.29,;1.25,-28.14,;2.76,-28.45,;.76,-26.68,;1.66,-25.43,;.74,-24.2,;-.71,-24.68,;-2.05,-23.93,;-2.06,-22.39,;-3.39,-21.62,;-4.72,-22.4,;-4.72,-23.94,;-6.05,-24.71,;-7.38,-23.95,;-7.39,-22.41,;-6.07,-21.63,;-8.71,-24.73,;-8.87,-26.26,;-10.37,-26.58,;-11.15,-25.25,;-10.12,-24.11,;-3.38,-24.7,;-3.37,-26.24,;-4.7,-27.01,;-4.7,-28.55,;-3.37,-29.31,;-3.36,-30.86,;-4.7,-31.63,;-4.7,-33.17,;-6.03,-30.86,;-6.04,-29.33,;-2.03,-27,;-.7,-26.22,)| Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-13-17-3-5-18(6-4-17)19-11-12-33-14-19)30-25(31-24(22)32)29-21-9-7-20(26)8-10-21/h3-6,11-12,14-16,20-21H,7-10,13,26H2,1-2H3,(H2,27,29,30,31)/t20-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of recombinant Cdk2/cyclinA				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM50378308 (CHEMBL568509) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.23,-29.29,;1.25,-28.14,;2.76,-28.45,;.76,-26.68,;1.66,-25.43,;.74,-24.2,;-.71,-24.68,;-2.05,-23.93,;-2.06,-22.39,;-3.39,-21.62,;-4.72,-22.4,;-4.72,-23.94,;-6.05,-24.71,;-7.38,-23.95,;-7.39,-22.41,;-6.07,-21.63,;-8.71,-24.73,;-8.87,-26.26,;-10.37,-26.58,;-11.15,-25.25,;-10.12,-24.11,;-3.38,-24.7,;-3.37,-26.24,;-4.7,-27.01,;-4.7,-28.55,;-3.37,-29.31,;-3.36,-30.86,;-4.7,-31.63,;-4.7,-33.17,;-6.03,-30.86,;-6.04,-29.33,;-2.03,-27,;-.7,-26.22,)| Show InChI InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-13-17-3-5-18(6-4-17)19-11-12-33-14-19)30-25(31-24(22)32)29-21-9-7-20(26)8-10-21/h3-6,11-12,14-16,20-21H,7-10,13,26H2,1-2H3,(H2,27,29,30,31)/t20-,21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of Cdk2/cyclinE				Bioorg Med Chem Lett 19: 6613-7 (2009) Article DOI: 10.1016/j.bmcl.2009.10.011 BindingDB Entry DOI: 10.7270/Q2M32WPQ
					More data for this Ligand-Target Pair