BDBM50368751 CHEMBL1790907

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

InChI Key: InChIKey=PNEYGOOJYCNMPE-HIVPWIAUSA-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 = 50368751   

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)	BDBM50368751 (CHEMBL1790907) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)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](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C48H66N10O18/c1-23(2)16-29(42(69)54-32(20-37(63)64)41(68)50-24(3)40(67)52-33(21-38(65)66)44(71)56-34(48(75)76)18-28-14-10-7-11-15-28)55-47(74)39(25(4)60)58-45(72)30(17-27-12-8-6-9-13-27)53-46(73)35(22-59)57-43(70)31(19-36(49)62)51-26(5)61/h6-15,23-25,29-35,39,59-60H,16-22H2,1-5H3,(H2,49,62)(H,50,68)(H,51,61)(H,52,67)(H,53,73)(H,54,69)(H,55,74)(H,56,71)(H,57,70)(H,58,72)(H,63,64)(H,65,66)(H,75,76)/t24-,25-,29-,30-,31-,32-,33-,34-,35-,39-/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	9.00E+3	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 9-15				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair