BDBM50368764 CHEMBL2369635

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

InChI Key: InChIKey=RTXNZCHJFUSPRP-CUAIGOJYSA-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 = 50368764   

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)	BDBM50368764 (CHEMBL2369635) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C54H69N11O18/c1-28(57-31(4)67)46(74)56-27-42(69)58-29(2)47(75)60-37(23-33-16-10-6-11-17-33)52(80)65-45(30(3)66)53(81)63-36(22-32-14-8-5-9-15-32)49(77)61-38(25-41(55)68)50(78)59-35(20-21-43(70)71)48(76)62-39(26-44(72)73)51(79)64-40(54(82)83)24-34-18-12-7-13-19-34/h5-19,28-30,35-40,45,66H,20-27H2,1-4H3,(H2,55,68)(H,56,74)(H,57,67)(H,58,69)(H,59,78)(H,60,75)(H,61,77)(H,62,76)(H,63,81)(H,64,79)(H,65,80)(H,70,71)(H,72,73)(H,82,83)/t28-,29-,30+,35-,36-,37-,38-,39-,40-,45-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Cross inhibitory potency of compound on Saccharomyces cerevisiae R2 C-terminal peptide on Saccharomyces cerevisiae ribonucleotide reductase				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair