BDBM50378311 CHEMBL568301

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12

InChI Key: InChIKey=CBQMOEYBNJRBIR-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 = 50378311   

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))	BDBM50378311 (CHEMBL568301) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.18,-42.63,;31.2,-41.48,;32.71,-41.79,;30.72,-40.02,;31.61,-38.77,;30.7,-37.53,;29.24,-38.02,;27.9,-37.26,;27.9,-35.72,;26.56,-34.96,;25.23,-35.74,;25.23,-37.28,;23.9,-38.05,;22.57,-37.28,;22.56,-35.75,;23.88,-34.97,;21.24,-38.06,;21.08,-39.6,;19.58,-39.92,;18.8,-38.59,;17.27,-38.44,;19.83,-37.44,;26.57,-38.04,;26.58,-39.58,;25.25,-40.35,;25.26,-41.89,;26.59,-42.65,;26.59,-44.2,;25.25,-44.97,;25.26,-46.51,;23.92,-44.2,;23.92,-42.67,;27.92,-40.34,;29.25,-39.56,)| Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-21-11-9-20(27)10-12-21)28-14-18-5-7-19(8-6-18)22-13-4-17(3)34-22/h4-8,13,15-16,20-21H,9-12,14,27H2,1-3H3,(H2,28,30,31,32)/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	0.600	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))	BDBM50378311 (CHEMBL568301) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(C)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(30.18,-42.63,;31.2,-41.48,;32.71,-41.79,;30.72,-40.02,;31.61,-38.77,;30.7,-37.53,;29.24,-38.02,;27.9,-37.26,;27.9,-35.72,;26.56,-34.96,;25.23,-35.74,;25.23,-37.28,;23.9,-38.05,;22.57,-37.28,;22.56,-35.75,;23.88,-34.97,;21.24,-38.06,;21.08,-39.6,;19.58,-39.92,;18.8,-38.59,;17.27,-38.44,;19.83,-37.44,;26.57,-38.04,;26.58,-39.58,;25.25,-40.35,;25.26,-41.89,;26.59,-42.65,;26.59,-44.2,;25.25,-44.97,;25.26,-46.51,;23.92,-44.2,;23.92,-42.67,;27.92,-40.34,;29.25,-39.56,)| Show InChI InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-21-11-9-20(27)10-12-21)28-14-18-5-7-19(8-6-18)22-13-4-17(3)34-22/h4-8,13,15-16,20-21H,9-12,14,27H2,1-3H3,(H2,28,30,31,32)/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