BDBM50368747 CHEMBL1790911

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)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=DEQJVOUPIHIEGH-ODVQMYLQSA-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 = 50368747   

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)	BDBM50368747 (CHEMBL1790911) 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)NCC(=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(45-39(59)34(22(3)48)47-38(58)27(42-23(4)49)16-24-11-7-5-8-12-24)36(56)44-28(18-32(51)52)35(55)41-20-31(50)43-29(19-33(53)54)37(57)46-30(40(60)61)17-25-13-9-6-10-14-25/h5-14,21-22,26-30,34,48H,15-20H2,1-4H3,(H,41,55)(H,42,49)(H,43,50)(H,44,56)(H,45,59)(H,46,57)(H,47,58)(H,51,52)(H,53,54)(H,60,61)/t22-,26-,27-,28-,29-,30-,34-/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	1.10E+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 110-230				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair