BDBM50000139 2-[2-(2-{2-[2-(2-{2-[2-(2-Acetylamino-4-phenyl-butyrylamino)-propionylamino]-acetylamino}-3-hydroxy-butyrylamino)-3-methyl-butyrylamino]-3-methyl-pentanoylamino}-3-carbamoyl-propionylamino)-3-carboxy-propionylamino]-4-methyl-pentanoic acid::CHEMBL410578

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](CCc1ccccc1)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

InChI Key: InChIKey=ZMYKEJVSNXGOBR-BYSLJWIRSA-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 = 50000139   

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
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human))	BDBM50000139 (2-[2-(2-{2-[2-(2-{2-[2-(2-Acetylamino-4-phenyl-but...) 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](CCc1ccccc1)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/C46H72N10O15/c1-10-24(6)37(44(68)52-30(19-33(47)59)41(65)51-31(20-35(61)62)42(66)53-32(46(70)71)18-22(2)3)56-43(67)36(23(4)5)55-45(69)38(26(8)57)54-34(60)21-48-39(63)25(7)49-40(64)29(50-27(9)58)17-16-28-14-12-11-13-15-28/h11-15,22-26,29-32,36-38,57H,10,16-21H2,1-9H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,65)(H,52,68)(H,53,66)(H,54,60)(H,55,69)(H,56,67)(H,61,62)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,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	3.00E+4	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