Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large subunit' and Ligand = 'BDBM50000161'   

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
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human))	BDBM50000161 (2-[2-(2-{2-[2-(2-{2-[2-(2-Acetylamino-3-cyclohexyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C45H76N10O15/c1-10-23(6)36(43(67)51-29(18-32(46)58)40(64)50-30(19-34(60)61)41(65)52-31(45(69)70)16-21(2)3)55-42(66)35(22(4)5)54-44(68)37(25(8)56)53-33(59)20-47-38(62)24(7)48-39(63)28(49-26(9)57)17-27-14-12-11-13-15-27/h21-25,27-31,35-37,56H,10-20H2,1-9H3,(H2,46,58)(H,47,62)(H,48,63)(H,49,57)(H,50,64)(H,51,67)(H,52,65)(H,53,59)(H,54,68)(H,55,66)(H,60,61)(H,69,70)/t23-,24+,25-,28+,29+,30+,31+,35+,36+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding				J Med Chem 35: 346-50 (1992) BindingDB Entry DOI: 10.7270/Q2348JB2
					More data for this Ligand-Target Pair