Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3' and Ligand = 'BDBM50070083'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM50070083 (3,4-bis(indol-3-yl)maleimide derivative | CHEMBL42...) Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12)NC(C)=O |t:41| Show InChI InChI=1S/C52H73N11O8S/c1-34(64)56-41(52(70)63-26-13-21-44(63)49(67)58-40(18-10-12-23-54)48(66)57-39(47(65)55-2)17-9-11-22-53)33-72-30-29-71-28-27-62-32-38(36-16-6-8-20-43(36)62)46-45(50(68)59-51(46)69)37-31-61(25-14-24-60(3)4)42-19-7-5-15-35(37)42/h5-8,15-16,19-20,31-32,39-41,44H,9-14,17-18,21-30,33,53-54H2,1-4H3,(H,55,65)(H,56,64)(H,57,66)(H,58,67)(H,59,68,69)/t39-,40-,41-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex				Bioorg Med Chem Lett 8: 1019-22 (1999) BindingDB Entry DOI: 10.7270/Q27W6BBN
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