BDBM50033467 1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-propionyl)-methyl-amino]-3-methyl-butyrylamino}-3,3-dimethyl-butyrylamino)-4-oxo-4-pyrrolidin-1-yl-butyrylamino]-((S)-1-hydroxymethyl-3-methyl-butylcarbamoyl)-methyl]-cyclopentanecarboxylic acid::CHEMBL331518

SMILES: CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C1(CCCC1)C(O)=O

InChI Key: InChIKey=UPRGJVBMXKNELK-HOMVEOSBSA-N

Data: 2 EC50

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 = 50033467   

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))	BDBM50033467 (1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...) Show SMILES CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C1(CCCC1)C(O)=O Show InChI InChI=1S/C50H74N6O9/c1-32(2)27-37(31-57)51-46(62)42(50(48(64)65)23-15-16-24-50)54-43(59)38(30-39(58)56-25-17-18-26-56)52-45(61)41(49(5,6)7)53-44(60)40(33(3)4)55(8)47(63)36(28-34-19-11-9-12-20-34)29-35-21-13-10-14-22-35/h9-14,19-22,32-33,36-38,40-42,57H,15-18,23-31H2,1-8H3,(H,51,62)(H,52,61)(H,53,60)(H,54,59)(H,64,65)/t37-,38-,40-,41+,42+/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	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HSV-2 in baby hamster kidney cell				J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW
					More data for this Ligand-Target Pair
RRM1/RRM2 holoenzyme (Homo sapiens (Human))	BDBM50033467 (1-[(S)-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-pr...) Show SMILES CC(C)C[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N1CCCC1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)C1(CCCC1)C(O)=O Show InChI InChI=1S/C50H74N6O9/c1-32(2)27-37(31-57)51-46(62)42(50(48(64)65)23-15-16-24-50)54-43(59)38(30-39(58)56-25-17-18-26-56)52-45(61)41(49(5,6)7)53-44(60)40(33(3)4)55(8)47(63)36(28-34-19-11-9-12-20-34)29-35-21-13-10-14-22-35/h9-14,19-22,32-33,36-38,40-42,57H,15-18,23-31H2,1-8H3,(H,51,62)(H,52,61)(H,53,60)(H,54,59)(H,64,65)/t37-,38-,40-,41+,42+/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	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a
Bio-M£ga/Boehringer Ingelheim Research Inc. Curated by ChEMBL					Assay Description Inhibitory activity against HSV-1 in baby hamster kidney cell				J Med Chem 38: 3617-23 (1995) BindingDB Entry DOI: 10.7270/Q21V5FMW
					More data for this Ligand-Target Pair