Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large subunit' and Ligand = 'BDBM50000149'   

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))	BDBM50000149 (CHEMBL261954 | Ribonucleotide reductase inhibiting...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](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/C46H72N10O17/c1-10-22(6)36(44(70)51-29(17-32(47)61)39(65)50-30(18-34(63)64)40(66)52-31(46(72)73)15-20(2)3)55-43(69)35(21(4)5)54-45(71)38(24(8)58)53-33(62)19-48-42(68)37(23(7)57)56-41(67)28(49-25(9)59)16-26-11-13-27(60)14-12-26/h11-14,20-24,28-31,35-38,57-58,60H,10,15-19H2,1-9H3,(H2,47,61)(H,48,68)(H,49,59)(H,50,65)(H,51,70)(H,52,66)(H,53,62)(H,54,71)(H,55,69)(H,56,67)(H,63,64)(H,72,73)/t22-,23-,24-,28+,29+,30+,31+,35+,36+,37+,38+/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	3.60E+3	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