BDBM50042881 3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-propionylamino]-4-methyl-pentanoylamino}-N-{1-[2-carboxy-1-(1-carboxy-2-phenyl-ethylcarbamoyl)-ethylcarbamoyl]-ethyl}-succinamic acid(Ac-FALDADF)::CHEMBL126984

SMILES: CC(C)C[C@H](NC(=O)[C@H](C)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=NTMZTFRCTPQZQZ-IJZGHAINSA-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 = 50042881   

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)	BDBM50042881 (3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-pr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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/C40H53N7O13/c1-21(2)16-27(44-34(53)22(3)41-36(55)28(43-24(5)48)17-25-12-8-6-9-13-25)38(57)46-29(19-32(49)50)37(56)42-23(4)35(54)45-30(20-33(51)52)39(58)47-31(40(59)60)18-26-14-10-7-11-15-26/h6-15,21-23,27-31H,16-20H2,1-5H3,(H,41,55)(H,42,56)(H,43,48)(H,44,53)(H,45,54)(H,46,57)(H,47,58)(H,49,50)(H,51,52)(H,59,60)/t22-,23-,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	3.50E+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 35-40				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair