BDBM9849 (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(4-methylbenzene)sulfonamido]hexanoic acid::Lysine derivative 2

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O

InChI Key: InChIKey=GJXKBGKAUIMAKK-HNNXBMFYSA-N

Data: 1 KI

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 = 9849   

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
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM9849 ((2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(4-methyl...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C18H28N2O6S/c1-13-8-10-14(11-9-13)27(24,25)20-15(16(21)22)7-5-6-12-19-17(23)26-18(2,3)4/h8-11,15,20H,5-7,12H2,1-4H3,(H,19,23)(H,21,22)/t15-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	>-5.54	n/a	n/a	n/a	n/a	n/a	4.7	30
Pharmacor Inc					Assay Description HIV-1 protease activity was measured by a continuous fluorometric assay using the internally quenched fluorogenic substrate DABCYL-Ser-Gln-Asn-Tyr-Pr...				Bioorg Med Chem Lett 15: 1509-13 (2005) Article DOI: 10.1016/j.bmcl.2004.12.068 BindingDB Entry DOI: 10.7270/Q2Z31WW4
					More data for this Ligand-Target Pair