BDBM50042895 3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-hydroxy-propionylamino]-4-methyl-pentanoylamino}-N-{1-[2-carboxy-1-(1-carboxy-2-phenyl-ethylcarbamoyl)-ethylcarbamoyl]-ethyl}-succinamic acid(Ac-FSLDADF)::CHEMBL436201

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=PWPRGESRNADNCD-FKVQNEAASA-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 = 50042895   

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 M1 chain (Mus musculus)	BDBM50042895 (3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C40H53N7O14/c1-21(2)15-26(44-39(59)31(20-48)47-37(57)27(42-23(4)49)16-24-11-7-5-8-12-24)36(56)45-28(18-32(50)51)35(55)41-22(3)34(54)43-29(19-33(52)53)38(58)46-30(40(60)61)17-25-13-9-6-10-14-25/h5-14,21-22,26-31,48H,15-20H2,1-4H3,(H,41,55)(H,42,49)(H,43,54)(H,44,59)(H,45,56)(H,46,58)(H,47,57)(H,50,51)(H,52,53)(H,60,61)/t22-,26-,27-,28-,29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 40-42				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair