BDBM50368745 CHEMBL2369633

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)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=SQAZMWJHGMWHFS-DQBVKRMVSA-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 = 50368745   

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)	BDBM50368745 (CHEMBL2369633) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)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/C46H56N8O15/c1-25(55)39(54-44(66)31(48-26(2)56)20-27-12-6-3-7-13-27)45(67)52-32(21-28-14-8-4-9-15-28)41(63)50-33(23-36(47)57)42(64)49-30(18-19-37(58)59)40(62)51-34(24-38(60)61)43(65)53-35(46(68)69)22-29-16-10-5-11-17-29/h3-17,25,30-35,39,55H,18-24H2,1-2H3,(H2,47,57)(H,48,56)(H,49,64)(H,50,63)(H,51,62)(H,52,67)(H,53,65)(H,54,66)(H,58,59)(H,60,61)(H,68,69)/t25-,30+,31+,32+,33+,34+,35+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	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)	BDBM50368745 (CHEMBL2369633) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)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/C46H56N8O15/c1-25(55)39(54-44(66)31(48-26(2)56)20-27-12-6-3-7-13-27)45(67)52-32(21-28-14-8-4-9-15-28)41(63)50-33(23-36(47)57)42(64)49-30(18-19-37(58)59)40(62)51-34(24-38(60)61)43(65)53-35(46(68)69)22-29-16-10-5-11-17-29/h3-17,25,30-35,39,55H,18-24H2,1-2H3,(H2,47,57)(H,48,56)(H,49,64)(H,50,63)(H,51,62)(H,52,67)(H,53,65)(H,54,66)(H,58,59)(H,60,61)(H,68,69)/t25-,30+,31+,32+,33+,34+,35+,39+/m1/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