BDBM50066477 ((S)-1-{N'-(4-Diethylamino-benzyl)-N'-[(2S,3S)-2-hydroxy-3-((S)-2-methoxycarbonylamino-3,3-dimethyl-butyrylamino)-4-phenyl-butyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester::CHEMBL324601

SMILES: CCN(CC)c1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)cc1

InChI Key: InChIKey=SPPMTEJXQLLCOE-SYQUUIDJSA-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 = 50066477   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50066477 (((S)-1-{N'-(4-Diethylamino-benzyl)-N'-[(2S,3S)-2-h...) Show SMILES CCN(CC)c1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)cc1 Show InChI InChI=1S/C37H58N6O7/c1-11-42(12-2)27-20-18-26(19-21-27)23-43(41-33(46)31(37(6,7)8)40-35(48)50-10)24-29(44)28(22-25-16-14-13-15-17-25)38-32(45)30(36(3,4)5)39-34(47)49-9/h13-21,28-31,44H,11-12,22-24H2,1-10H3,(H,38,45)(H,39,47)(H,40,48)(H,41,46)/t28-,29-,30+,31+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy AG Curated by ChEMBL					Assay Description The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells.				J Med Chem 41: 3387-401 (1998) Article DOI: 10.1021/jm970873c BindingDB Entry DOI: 10.7270/Q2H1315D
					More data for this Ligand-Target Pair