BDBM50000158 2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-hydroxy-butyrylamino]-3-methyl-butyrylamino}-3-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-4-carbamoyl-butyrylamino}-4-methyl-pentanoic acid::CHEMBL442320

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](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=YTDVETJPYFXCJN-ZMSDPHGOSA-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 = 50000158   

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))	BDBM50000158 (2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...) 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](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C46H73N11O15/c1-10-23(6)37(44(69)53-31(19-34(48)62)42(67)52-29(15-16-33(47)61)40(65)54-32(46(71)72)17-21(2)3)57-43(68)36(22(4)5)56-45(70)38(25(8)58)55-35(63)20-49-39(64)24(7)50-41(66)30(51-26(9)59)18-27-11-13-28(60)14-12-27/h11-14,21-25,29-32,36-38,58,60H,10,15-20H2,1-9H3,(H2,47,61)(H2,48,62)(H,49,64)(H,50,66)(H,51,59)(H,52,67)(H,53,69)(H,54,65)(H,55,63)(H,56,70)(H,57,68)(H,71,72)/t23-,24+,25-,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	3.45E+5	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