Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ribonucleoside-diphosphate reductase large subunit' and Ligand = 'BDBM50000141'   

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))	BDBM50000141 (2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-...) 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](Cc1c[nH]c2ccccc12)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/C47H71N11O15/c1-10-23(6)38(45(70)54-31(17-34(48)61)42(67)53-32(18-36(63)64)43(68)55-33(47(72)73)15-21(2)3)58-44(69)37(22(4)5)57-46(71)39(25(8)59)56-35(62)20-50-40(65)24(7)51-41(66)30(52-26(9)60)16-27-19-49-29-14-12-11-13-28(27)29/h11-14,19,21-25,30-33,37-39,49,59H,10,15-18,20H2,1-9H3,(H2,48,61)(H,50,65)(H,51,66)(H,52,60)(H,53,67)(H,54,70)(H,55,68)(H,56,62)(H,57,71)(H,58,69)(H,63,64)(H,72,73)/t23-,24+,25-,30+,31+,32+,33+,37+,38+,39+/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Inhibitory concentration 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