BDBM50033466 (S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phenyl-propionylamino)-3-methyl-butyrylamino]-3-methyl-butyrylamino}-3-carbamoyl-propionylamino)-3-carboxy-propionylamino]-4-methyl-pentanoic acid::CHEMBL19667

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

InChI Key: InChIKey=RDYCCDUYPPTUMP-WDEDYMKJSA-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 = 50033466   

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
RRM1/RRM2 holoenzyme (Homo sapiens (Human))	BDBM50033466 ((S)-2-[(S)-2-((S)-2-{(S)-2-[(S)-2-(2-Benzyl-3-phen...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(C)C)C(O)=O Show InChI InChI=1S/C40H56N6O10/c1-22(2)17-30(40(55)56)44-37(52)29(21-32(48)49)42-36(51)28(20-31(41)47)43-38(53)33(23(3)4)46-39(54)34(24(5)6)45-35(50)27(18-25-13-9-7-10-14-25)19-26-15-11-8-12-16-26/h7-16,22-24,27-30,33-34H,17-21H2,1-6H3,(H2,41,47)(H,42,51)(H,43,53)(H,44,52)(H,45,50)(H,46,54)(H,48,49)(H,55,56)/t28-,29-,30-,33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against HSV ribonucleotide reductase				J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW
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