BDBM50053972 (S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(3-cyclohexyl-ureido)-3-methyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-propionylamino)-4-methyl-pentanoic acid::CHEMBL132309

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)NC1CCCCC1)C(C)C)C(O)=O

InChI Key: InChIKey=JHNRYSVFRLYZDT-UEOMBKFZSA-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 = 50053972   

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))	BDBM50053972 ((S)-2-((S)-3-Carboxy-2-{(S)-2-[(S)-2-(3-cyclohexyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)NC1CCCCC1)C(C)C)C(O)=O Show InChI InChI=1S/C30H50N6O9/c1-17(2)14-22(29(43)44)34-27(41)21(16-24(38)39)32-26(40)20(15-23(37)36-12-8-9-13-36)33-28(42)25(18(3)4)35-30(45)31-19-10-6-5-7-11-19/h17-22,25H,5-16H2,1-4H3,(H,32,40)(H,33,42)(H,34,41)(H,38,39)(H,43,44)(H2,31,35,45)/t20-,21-,22-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory effect was evaluated on Herpes simplex virus (HSV) ribonucleotide reductase (RR) enzyme.				J Med Chem 39: 4173-80 (1996) Article DOI: 10.1021/jm960324r BindingDB Entry DOI: 10.7270/Q28W3DZQ
					More data for this Ligand-Target Pair