BDBM50378304 CHEMBL568080

SMILES: CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=SWRFZQFPQPZUEQ-WGSAOQKQSA-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 = 50378304   

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))	BDBM50378304 (CHEMBL568080) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.11,-31.85,;1.13,-30.7,;2.64,-31.01,;.64,-29.24,;1.53,-27.99,;.62,-26.75,;-.84,-27.24,;-2.17,-26.48,;-2.18,-24.94,;-3.52,-24.18,;-4.85,-24.96,;-6.18,-24.19,;-7.51,-24.97,;-7.5,-26.51,;-6.15,-27.27,;-4.83,-26.49,;-8.83,-27.29,;-8.98,-28.83,;-10.49,-29.16,;-11.27,-27.83,;-10.24,-26.68,;-3.5,-27.26,;-3.5,-28.8,;-4.83,-29.57,;-4.82,-31.11,;-3.49,-31.87,;-3.49,-33.42,;-4.82,-34.19,;-4.82,-35.73,;-6.16,-33.42,;-6.16,-31.89,;-2.16,-29.56,;-.83,-28.78,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-12-16-3-8-20(26-11-16)17-9-10-33-13-17)30-24(31-23(21)32)29-19-6-4-18(25)5-7-19/h3,8-11,13-15,18-19H,4-7,12,25H2,1-2H3,(H2,27,29,30,31)/t18-,19-	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	0.100	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))	BDBM50378304 (CHEMBL568080) Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccsc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(.11,-31.85,;1.13,-30.7,;2.64,-31.01,;.64,-29.24,;1.53,-27.99,;.62,-26.75,;-.84,-27.24,;-2.17,-26.48,;-2.18,-24.94,;-3.52,-24.18,;-4.85,-24.96,;-6.18,-24.19,;-7.51,-24.97,;-7.5,-26.51,;-6.15,-27.27,;-4.83,-26.49,;-8.83,-27.29,;-8.98,-28.83,;-10.49,-29.16,;-11.27,-27.83,;-10.24,-26.68,;-3.5,-27.26,;-3.5,-28.8,;-4.83,-29.57,;-4.82,-31.11,;-3.49,-31.87,;-3.49,-33.42,;-4.82,-34.19,;-4.82,-35.73,;-6.16,-33.42,;-6.16,-31.89,;-2.16,-29.56,;-.83,-28.78,)| Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-12-16-3-8-20(26-11-16)17-9-10-33-13-17)30-24(31-23(21)32)29-19-6-4-18(25)5-7-19/h3,8-11,13-15,18-19H,4-7,12,25H2,1-2H3,(H2,27,29,30,31)/t18-,19-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.0300	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