BDBM50033461 (S)-N-((S)-1-Hydroxymethyl-3,3-dimethyl-butyl)-3-((S)-2-{(S)-3-methyl-2-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-succinamic acid::CHEMBL414818

SMILES: CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C

InChI Key: InChIKey=NGQWYGQBJMCKRQ-DTSFCTBBSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50033461   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RRM1/RRM2 holoenzyme (Homo sapiens (Human))	BDBM50033461 ((S)-N-((S)-1-Hydroxymethyl-3,3-dimethyl-butyl)-3-(...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CO)CC(C)(C)C Show InChI InChI=1S/C38H60N6O9/c1-23(2)32(42-29(46)16-15-25-13-9-8-10-14-25)37(53)43-33(24(3)4)36(52)41-27(19-30(47)44-17-11-12-18-44)35(51)40-28(20-31(48)49)34(50)39-26(22-45)21-38(5,6)7/h8-10,13-14,23-24,26-28,32-33,45H,11-12,15-22H2,1-7H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,53)(H,48,49)/t26-,27-,28-,32-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against HSV ribonucleotide reductase				J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW
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