BDBM50378312 CHEMBL578664

SMILES: CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=SZMIQVKZMBPLKC-MXVIHJGJSA-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 = 50378312   

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))	BDBM50378312 (CHEMBL578664) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.41,-48.44,;16.43,-47.29,;17.94,-47.6,;15.95,-45.83,;16.84,-44.58,;15.93,-43.34,;14.47,-43.83,;13.13,-43.07,;13.13,-41.53,;11.79,-40.77,;10.46,-41.55,;10.3,-43.09,;8.8,-43.41,;8.02,-42.08,;9.05,-40.93,;6.48,-42.09,;5.72,-43.42,;4.19,-43.43,;3.42,-42.09,;4.17,-40.76,;3.4,-39.43,;5.71,-40.75,;11.8,-43.85,;11.81,-45.39,;10.48,-46.16,;10.49,-47.7,;11.82,-48.46,;11.82,-50.01,;10.48,-50.78,;10.49,-52.32,;9.15,-50.01,;9.15,-48.48,;13.15,-46.15,;14.48,-45.37,)| Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-20-9-7-19(27)8-10-20)28-14-21-11-12-22(34-21)18-6-4-5-17(3)13-18/h4-6,11-13,15-16,19-20H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)/t19-,20-	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	0.700	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))	BDBM50378312 (CHEMBL578664) Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccc(C)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(15.41,-48.44,;16.43,-47.29,;17.94,-47.6,;15.95,-45.83,;16.84,-44.58,;15.93,-43.34,;14.47,-43.83,;13.13,-43.07,;13.13,-41.53,;11.79,-40.77,;10.46,-41.55,;10.3,-43.09,;8.8,-43.41,;8.02,-42.08,;9.05,-40.93,;6.48,-42.09,;5.72,-43.42,;4.19,-43.43,;3.42,-42.09,;4.17,-40.76,;3.4,-39.43,;5.71,-40.75,;11.8,-43.85,;11.81,-45.39,;10.48,-46.16,;10.49,-47.7,;11.82,-48.46,;11.82,-50.01,;10.48,-50.78,;10.49,-52.32,;9.15,-50.01,;9.15,-48.48,;13.15,-46.15,;14.48,-45.37,)| Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-20-9-7-19(27)8-10-20)28-14-21-11-12-22(34-21)18-6-4-5-17(3)13-18/h4-6,11-13,15-16,19-20H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)/t19-,20-	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