BDBM81677 CARB-KB32

SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1cccc(OC)c1

InChI Key InChIKey=PUILPMKESPMMSZ-YFXJRYMSSA-N

Data  3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 81677   

TargetHIV-1 protease(Human immunodeficiency virus)
University of Maryland

LigandPNGBDBM81677(CARB-KB32)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O7S/c1-18(29)16-28(36(33,34)21-11-7-10-20(15-21)35-3)17-23(30)22(14-19-8-5-4-6-9-19)27-25(32)13-12-24(31)26-2/h4-11,15,18,22-23,29-30H,12-14,16-17H2,1-3H3,(H,26,31)(H,27,32)/t18-,22+,23-/m1/s1
Affinity DataKi:  760nMAssay Description:Inhibition assay using HIV protease and Sulfonamide compounds.More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
UMBI

Curated by ChEMBL
LigandPNGBDBM81677(CARB-KB32)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O7S/c1-18(29)16-28(36(33,34)21-11-7-10-20(15-21)35-3)17-23(30)22(14-19-8-5-4-6-9-19)27-25(32)13-12-24(31)26-2/h4-11,15,18,22-23,29-30H,12-14,16-17H2,1-3H3,(H,26,31)(H,27,32)/t18-,22+,23-/m1/s1
Affinity DataKi:  1.17E+3nMAssay Description:Inhibition of HIV1 protease Q7K mutant by FRET methodMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
UMBI

Curated by ChEMBL
LigandPNGBDBM81677(CARB-KB32)
Show SMILES CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H](C)O)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O7S/c1-18(29)16-28(36(33,34)21-11-7-10-20(15-21)35-3)17-23(30)22(14-19-8-5-4-6-9-19)27-25(32)13-12-24(31)26-2/h4-11,15,18,22-23,29-30H,12-14,16-17H2,1-3H3,(H,26,31)(H,27,32)/t18-,22+,23-/m1/s1
Affinity DataKi:  1.18E+3nMAssay Description:Inhibition of HIV1 protease Q7K mutant by FRET methodMore data for this Ligand-Target Pair