Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50117497'   

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-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50117497 (CHEMBL266900 | H-His-Ser-Lys-Arg-Arg-Leu-Ile-(L)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@H](O)c1ccccc1)C(O)=O Show InChI InChI=1S/C48H81N17O11/c1-5-27(4)36(45(74)65-37(46(75)76)38(67)28-13-7-6-8-14-28)64-43(72)34(21-26(2)3)62-42(71)33(17-12-20-57-48(53)54)60-41(70)32(16-11-19-56-47(51)52)59-40(69)31(15-9-10-18-49)61-44(73)35(24-66)63-39(68)30(50)22-29-23-55-25-58-29/h6-8,13-14,23,25-27,30-38,66-67H,5,9-12,15-22,24,49-50H2,1-4H3,(H,55,58)(H,59,69)(H,60,70)(H,61,73)(H,62,71)(H,63,68)(H,64,72)(H,65,74)(H,75,76)(H4,51,52,56)(H4,53,54,57)/t27-,30-,31-,32-,33-,34-,35-,36-,37-,38+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
					More data for this Ligand-Target Pair