BDBM50368749 CHEMBL1790913

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

InChI Key: InChIKey=CCECJWGXUJRVOU-XKLQQUQISA-N

Data: 2 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 2 hits for monomerid = 50368749   

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)	BDBM50368749 (CHEMBL1790913) 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](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C41H55N7O14/c1-21(2)16-27(46-40(60)34(23(4)49)48-39(59)28(43-24(5)50)17-25-12-8-6-9-13-25)37(57)45-29(19-32(51)52)36(56)42-22(3)35(55)44-30(20-33(53)54)38(58)47-31(41(61)62)18-26-14-10-7-11-15-26/h6-15,21-23,27-31,34,49H,16-20H2,1-5H3,(H,42,56)(H,43,50)(H,44,55)(H,45,57)(H,46,60)(H,47,58)(H,48,59)(H,51,52)(H,53,54)(H,61,62)/t22-,23-,27-,28-,29-,30-,31-,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	8.00E+3	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 mammalian ribonucleotide reductase				J Med Chem 36: 3859-62 (1994) BindingDB Entry DOI: 10.7270/Q2V40VTV
					More data for this Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain (Mus musculus)	BDBM50368749 (CHEMBL1790913) 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](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C41H55N7O14/c1-21(2)16-27(46-40(60)34(23(4)49)48-39(59)28(43-24(5)50)17-25-12-8-6-9-13-25)37(57)45-29(19-32(51)52)36(56)42-22(3)35(55)44-30(20-33(53)54)38(58)47-31(41(61)62)18-26-14-10-7-11-15-26/h6-15,21-23,27-31,34,49H,16-20H2,1-5H3,(H,42,56)(H,43,50)(H,44,55)(H,45,57)(H,46,60)(H,47,58)(H,48,59)(H,51,52)(H,53,54)(H,61,62)/t22-,23-,27-,28-,29-,30-,31-,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	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