BDBM50000150 CHEMBL440253::Ribonucleotide reductase inhibiting peptide analogue

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=OCYPKXUWYBEXJM-FPMIIBKUSA-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 = 50000150   

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 large subunit (Homo sapiens (Human))	BDBM50000150 (CHEMBL440253 | Ribonucleotide reductase inhibiting...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C54H78N12O19/c1-10-27(6)44(52(80)61-37(22-40(55)70)49(77)60-38(23-42(72)73)50(78)62-39(54(82)83)19-25(2)3)65-51(79)43(26(4)5)64-53(81)45(29(8)67)63-41(71)24-56-46(74)28(7)57-47(75)36(21-32-13-17-34(69)18-14-32)59-48(76)35(58-30(9)68)20-31-11-15-33(16-12-31)66(84)85/h11-18,25-29,35-39,43-45,67,69H,10,19-24H2,1-9H3,(H2,55,70)(H,56,74)(H,57,75)(H,58,68)(H,59,76)(H,60,77)(H,61,80)(H,62,78)(H,63,71)(H,64,81)(H,65,79)(H,72,73)(H,82,83)/t27-,28+,29-,35+,36+,37+,38+,39+,43+,44+,45+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding				J Med Chem 35: 346-50 (1992) BindingDB Entry DOI: 10.7270/Q2348JB2
					More data for this Ligand-Target Pair