BDBM50050831 (S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-propyl)-ureido]-3,3-dimethyl-butyrylamino}-4-oxo-4-pyrrolidin-1-yl-butyrylamino)-propionylamino]-4-methyl-pentanoic acid::CHEMBL305199

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

InChI Key: InChIKey=CGJZPYBZIFEXJA-IBPRQYQWSA-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 = 50050831   

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))	BDBM50050831 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C30H52N6O9/c1-8-18(9-2)31-29(45)35-24(30(5,6)7)27(42)33-19(15-22(37)36-12-10-11-13-36)25(40)32-20(16-23(38)39)26(41)34-21(28(43)44)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,32,40)(H,33,42)(H,34,41)(H,38,39)(H,43,44)(H2,31,35,45)/t19-,20-,21-,24+/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	3	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
Ribonucleoside-diphosphate reductase large chain (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50050831 ((S)-2-[(S)-3-Carboxy-2-((S)-2-{(S)-2-[3-(1-ethyl-p...) Show SMILES CCC(CC)NC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C30H52N6O9/c1-8-18(9-2)31-29(45)35-24(30(5,6)7)27(42)33-19(15-22(37)36-12-10-11-13-36)25(40)32-20(16-23(38)39)26(41)34-21(28(43)44)14-17(3)4/h17-21,24H,8-16H2,1-7H3,(H,32,40)(H,33,42)(H,34,41)(H,38,39)(H,43,44)(H2,31,35,45)/t19-,20-,21-,24+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bio-Méga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Herpes simplex virus (HSV) ribonucleotide reductase (RR)				J Med Chem 39: 2178-87 (1996) Article DOI: 10.1021/jm950825x BindingDB Entry DOI: 10.7270/Q2BG2N22
					More data for this Ligand-Target Pair