BDBM50033450 (S)-2-[(S)-2-((S)-3-Carbamoyl-2-{(S)-3-methyl-2-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-butyrylamino}-propionylamino)-3-carboxy-propionylamino]-4-methyl-pentanoic acid::CHEMBL19974

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

InChI Key: InChIKey=QDQRVUVRQQHRNM-ZCBIBPQVSA-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 = 50033450   

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))	BDBM50033450 ((S)-2-[(S)-2-((S)-3-Carbamoyl-2-{(S)-3-methyl-2-[(...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C33H50N6O10/c1-17(2)14-23(33(48)49)37-30(45)22(16-26(42)43)35-29(44)21(15-24(34)40)36-31(46)28(19(5)6)39-32(47)27(18(3)4)38-25(41)13-12-20-10-8-7-9-11-20/h7-11,17-19,21-23,27-28H,12-16H2,1-6H3,(H2,34,40)(H,35,44)(H,36,46)(H,37,45)(H,38,41)(H,39,47)(H,42,43)(H,48,49)/t21-,22-,23-,27-,28-/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	4.00E+3	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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