BDBM50378313 CHEMBL567626

SMILES: CC(C)n1cnc2c(NCc3ccc(s3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=RLFMPFNGRWVLRL-QAQDUYKDSA-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 = 50378313   

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))	BDBM50378313 (CHEMBL567626) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(1.56,-4.19,;2.58,-3.03,;4.09,-3.34,;2.09,-1.57,;2.99,-.32,;2.07,.91,;.62,.42,;-.72,1.18,;-.73,2.72,;-2.06,3.48,;-3.39,2.71,;-3.55,1.17,;-5.05,.84,;-5.83,2.17,;-4.81,3.32,;-7.37,2.17,;-8.27,.93,;-9.74,1.4,;-9.74,2.94,;-8.28,3.42,;-2.05,.41,;-2.04,-1.13,;-3.37,-1.91,;-3.37,-3.45,;-2.04,-4.21,;-2.03,-5.75,;-3.37,-6.53,;-3.37,-8.07,;-4.7,-5.76,;-4.71,-4.22,;-.7,-1.9,;.63,-1.11,)| Show InChI InChI=1S/C23H29N7S2/c1-14(2)30-13-26-20-21(25-11-18-7-8-19(32-18)15-9-10-31-12-15)28-23(29-22(20)30)27-17-5-3-16(24)4-6-17/h7-10,12-14,16-17H,3-6,11,24H2,1-2H3,(H2,25,27,28,29)/t16-,17-	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	0.300	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))	BDBM50378313 (CHEMBL567626) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(1.56,-4.19,;2.58,-3.03,;4.09,-3.34,;2.09,-1.57,;2.99,-.32,;2.07,.91,;.62,.42,;-.72,1.18,;-.73,2.72,;-2.06,3.48,;-3.39,2.71,;-3.55,1.17,;-5.05,.84,;-5.83,2.17,;-4.81,3.32,;-7.37,2.17,;-8.27,.93,;-9.74,1.4,;-9.74,2.94,;-8.28,3.42,;-2.05,.41,;-2.04,-1.13,;-3.37,-1.91,;-3.37,-3.45,;-2.04,-4.21,;-2.03,-5.75,;-3.37,-6.53,;-3.37,-8.07,;-4.7,-5.76,;-4.71,-4.22,;-.7,-1.9,;.63,-1.11,)| Show InChI InChI=1S/C23H29N7S2/c1-14(2)30-13-26-20-21(25-11-18-7-8-19(32-18)15-9-10-31-12-15)28-23(29-22(20)30)27-17-5-3-16(24)4-6-17/h7-10,12-14,16-17H,3-6,11,24H2,1-2H3,(H2,25,27,28,29)/t16-,17-	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