BDBM50368755 CHEMBL1790912

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

InChI Key: InChIKey=KDAMHQGIYGPRPE-PCTRPPDASA-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 = 50368755   

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)	BDBM50368755 (CHEMBL1790912) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H57N7O14/c1-22(2)18-29(47-41(61)35(24(4)50)49-40(60)30(44-25(5)51)19-26-12-8-6-9-13-26)39(59)46-31(21-34(54)55)38(58)43-23(3)36(56)45-28(16-17-33(52)53)37(57)48-32(42(62)63)20-27-14-10-7-11-15-27/h6-15,22-24,28-32,35,50H,16-21H2,1-5H3,(H,43,58)(H,44,51)(H,45,56)(H,46,59)(H,47,61)(H,48,57)(H,49,60)(H,52,53)(H,54,55)(H,62,63)/t23-,24-,28-,29-,30-,31-,32-,35-/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	4.50E+5	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 450-620				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair