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PubChem AID 832

Compile data set for download or QSAR
Found 93 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cathepsin G


(Homo sapiens)
BDBM37097
PNG
(MLS000087437 | N-cyclohexyl-7-methoxy-4,5-dihydrob...)
Show SMILES COc1ccc2-c3onc(C(=O)NC4CCCCC4)c3CCc2c1
Show InChI InChI=1S/C19H22N2O3/c1-23-14-8-10-15-12(11-14)7-9-16-17(21-24-18(15)16)19(22)20-13-5-3-2-4-6-13/h8,10-11,13H,2-7,9H2,1H3,(H,20,22)
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n/an/a 631n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM50077014
PNG
(2-Furan-2-yl-benzo[d][1,3]oxazin-4-one | CHEMBL244...)
Show SMILES O=c1oc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C12H7NO3/c14-12-8-4-1-2-5-9(8)13-11(16-12)10-6-3-7-15-10/h1-7H
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n/an/a 793n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32672
PNG
(MLS000097371 | N-[4-(1H-1,2,3-benzotriazol-1-ylcar...)
Show SMILES CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H16N4O2/c1-2-5-16(22)18-13-10-8-12(9-11-13)17(23)21-15-7-4-3-6-14(15)19-20-21/h3-4,6-11H,2,5H2,1H3,(H,18,22)
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n/an/a 923n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32801
PNG
(1,3-benzodioxol-5-yl(1-benzotriazolyl)methanone | ...)
Show SMILES O=C(c1ccc2OCOc2c1)n1nnc2ccccc12
Show InChI InChI=1S/C14H9N3O3/c18-14(9-5-6-12-13(7-9)20-8-19-12)17-11-4-2-1-3-10(11)15-16-17/h1-7H,8H2
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n/an/a 957n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32796
PNG
(MLS000115326 | SMR000092470 | [3-(2-furanyl)-5-(me...)
Show SMILES CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
Show InChI InChI=1S/C15H13N3O2S/c1-10-5-7-11(8-6-10)14(19)18-15(21-2)16-13(17-18)12-4-3-9-20-12/h3-9H,1-2H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41388
PNG
((3-amino-1,2,4-triazol-1-yl)-(4-methoxyphenyl)meth...)
Show SMILES COc1ccc(cc1)C(=O)n1cnc(N)n1
Show InChI InChI=1S/C10H10N4O2/c1-16-8-4-2-7(3-5-8)9(15)14-6-12-10(11)13-14/h2-6H,1H3,(H2,11,13)
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n/an/a 1.31E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM37413
PNG
(7-methoxy-N-(3-pyridinylmethyl)-4,5-dihydrobenzo[g...)
Show SMILES COc1ccc2-c3onc(C(=O)NCc4cccnc4)c3CCc2c1
Show InChI InChI=1S/C19H17N3O3/c1-24-14-5-7-15-13(9-14)4-6-16-17(22-25-18(15)16)19(23)21-11-12-3-2-8-20-10-12/h2-3,5,7-10H,4,6,11H2,1H3,(H,21,23)
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n/an/a 1.39E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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n/an/a 1.47E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41403
PNG
(MLS000087436 | N-(2-furanylmethyl)-7-methoxy-4,5-d...)
Show SMILES COc1ccc2-c3onc(C(=O)NCc4ccco4)c3CCc2c1
Show InChI InChI=1S/C18H16N2O4/c1-22-12-5-7-14-11(9-12)4-6-15-16(20-24-17(14)15)18(21)19-10-13-3-2-8-23-13/h2-3,5,7-9H,4,6,10H2,1H3,(H,19,21)
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n/an/a 1.58E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32795
PNG
((3-amino-1,2,4-triazol-4-yl)-(3,4-dimethylphenyl)m...)
Show SMILES Cc1ccc(cc1C)C(=O)n1cnnc1N
Show InChI InChI=1S/C11H12N4O/c1-7-3-4-9(5-8(7)2)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14)
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n/an/a 1.58E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32671
PNG
(3-(2-furyl)-5-(methylthio)-1-(2-thienylcarbonyl)-1...)
Show SMILES CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
Show InChI InChI=1S/C12H9N3O2S2/c1-18-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-19-9/h2-7H,1H3
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n/an/a 1.78E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM36955
PNG
(MLS000083777 | N-[(1S)-1-(5-benzylsulfonyl-1,3,4-o...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O5S/c1-22(2,3)30-20(26)23-18(14-16-10-6-4-7-11-16)19-24-25-21(29-19)31(27,28)15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1
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n/an/a 1.95E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM37437
PNG
(MLS000061720 | N-[3-(4-keto-3,1-benzoxazin-2-yl)ph...)
Show SMILES CC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H12N2O3/c1-10(19)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(20)21-15/h2-9H,1H3,(H,17,19)
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n/an/a 2.17E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32778
PNG
(MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
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n/an/a 2.26E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40847
PNG
(MLS000087424 | N-(2-phenylethyl)-4,5-dihydrobenzo[...)
Show SMILES O=C(NCCc1ccccc1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C20H18N2O2/c23-20(21-13-12-14-6-2-1-3-7-14)18-17-11-10-15-8-4-5-9-16(15)19(17)24-22-18/h1-9H,10-13H2,(H,21,23)
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n/an/a 2.48E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM35509
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O5S2/c1-22-10-4-6-11(7-5-10)25(20,21)18-13(16)9-14(17-18)23-15(19)12-3-2-8-24-12/h2-9H,16H2,1H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40913
PNG
(MLS000116425 | N-(4-fluorobenzyl)-7-methoxy-4,5-di...)
Show SMILES COc1ccc2-c3onc(C(=O)NCc4ccc(F)cc4)c3CCc2c1
Show InChI InChI=1S/C20H17FN2O3/c1-25-15-7-9-16-13(10-15)4-8-17-18(23-26-19(16)17)20(24)22-11-12-2-5-14(21)6-3-12/h2-3,5-7,9-10H,4,8,11H2,1H3,(H,22,24)
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n/an/a 2.52E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41420
PNG
(MLS000116420 | N-propyl-4,5-dihydrobenz[g]indoxaze...)
Show SMILES CCCNC(=O)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C15H16N2O2/c1-2-9-16-15(18)13-12-8-7-10-5-3-4-6-11(10)14(12)19-17-13/h3-6H,2,7-9H2,1H3,(H,16,18)
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n/an/a 2.55E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM36948
PNG
(MLS000041934 | N-[(1S)-1-[5-(3-fluorobenzyl)sulfon...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1cccc(F)c1
Show InChI InChI=1S/C22H24FN3O5S/c1-22(2,3)31-20(27)24-18(13-15-8-5-4-6-9-15)19-25-26-21(30-19)32(28,29)14-16-10-7-11-17(23)12-16/h4-12,18H,13-14H2,1-3H3,(H,24,27)/t18-/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM33628
PNG
(2-(3-pyridinyl)-3,1-benzoxazin-4-one | 2-(3-pyridy...)
Show SMILES O=c1oc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C13H8N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8H
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n/an/a 2.77E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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n/an/a 2.91E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32784
PNG
(2-thiophenecarboxylic acid [5-amino-1-(benzenesulf...)
Show SMILES Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O4S2/c15-12-9-13(21-14(18)11-7-4-8-22-11)16-17(12)23(19,20)10-5-2-1-3-6-10/h1-9H,15H2
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n/an/a 3.26E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40854
PNG
(MLS000090237 | N-[3-(4-keto-3,1-benzoxazin-2-yl)ph...)
Show SMILES CCC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C17H14N2O3/c1-2-15(20)18-12-7-5-6-11(10-12)16-19-14-9-4-3-8-13(14)17(21)22-16/h3-10H,2H2,1H3,(H,18,20)
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n/an/a 3.43E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40382
PNG
(1-(4,5,6,7-tetrahydro-1-benzothien-3-ylcarbonyl)-1...)
Show SMILES O=C(c1csc2CCCCc12)n1cccn1
Show InChI InChI=1S/C12H12N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h3,6-8H,1-2,4-5H2
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n/an/a 3.61E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32095
PNG
(MLS000087425 | N-(3-imidazol-1-ylpropyl)-4,5-dihyd...)
Show SMILES O=C(NCCCn1ccnc1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C18H18N4O2/c23-18(20-8-3-10-22-11-9-19-12-22)16-15-7-6-13-4-1-2-5-14(13)17(15)24-21-16/h1-2,4-5,9,11-12H,3,6-8,10H2,(H,20,23)
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n/an/a 3.73E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41387
PNG
(5-amino-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfany...)
Show SMILES Cn1cnnc1SCc1ccc(cc1)C(=O)n1ncc(C#N)c1N
Show InChI InChI=1S/C15H13N7OS/c1-21-9-18-20-15(21)24-8-10-2-4-11(5-3-10)14(23)22-13(17)12(6-16)7-19-22/h2-5,7,9H,8,17H2,1H3
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n/an/a 3.86E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32676
PNG
((3-amino-1,2,4-triazol-4-yl)-(3,5-dimethylphenyl)m...)
Show SMILES Cc1cc(C)cc(c1)C(=O)n1cnnc1N
Show InChI InChI=1S/C11H12N4O/c1-7-3-8(2)5-9(4-7)10(16)15-6-13-14-11(15)12/h3-6H,1-2H3,(H2,12,14)
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n/an/a 3.88E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32765
PNG
(2-(benzotriazole-1-carbonyl)benzoic acid propargyl...)
Show SMILES O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H11N3O3/c1-2-11-23-17(22)13-8-4-3-7-12(13)16(21)20-15-10-6-5-9-14(15)18-19-20/h1,3-10H,11H2
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n/an/a 3.97E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41390
PNG
(2-(3-morpholin-4-ylsulfonylphenyl)-3,1-benzoxazin-...)
Show SMILES O=c1oc(nc2ccccc12)-c1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5S/c21-18-15-6-1-2-7-16(15)19-17(25-18)13-4-3-5-14(12-13)26(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2
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n/an/a 4.05E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41398
PNG
(MLS000087439 | N-(3-imidazol-1-ylpropyl)-7-methoxy...)
Show SMILES COc1ccc2-c3onc(C(=O)NCCCn4ccnc4)c3CCc2c1
Show InChI InChI=1S/C19H20N4O3/c1-25-14-4-6-15-13(11-14)3-5-16-17(22-26-18(15)16)19(24)21-7-2-9-23-10-8-20-12-23/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,21,24)
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n/an/a 4.13E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41419
PNG
(MLS000116422 | N-(5-methyl-1,2-oxazol-3-yl)-4,5-di...)
Show SMILES Cc1cc(NC(=O)c2noc-3c2CCc2ccccc-32)no1
Show InChI InChI=1S/C16H13N3O3/c1-9-8-13(18-21-9)17-16(20)14-12-7-6-10-4-2-3-5-11(10)15(12)22-19-14/h2-5,8H,6-7H2,1H3,(H,17,18,20)
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n/an/a 4.25E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32791
PNG
(1-(1-benzothien-3-ylcarbonyl)-1H-pyrazole | 1-benz...)
Show SMILES O=C(c1csc2ccccc12)n1cccn1
Show InChI InChI=1S/C12H8N2OS/c15-12(14-7-3-6-13-14)10-8-16-11-5-2-1-4-9(10)11/h1-8H
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n/an/a 4.33E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41401
PNG
(7-methoxy-N-(2-methoxyethyl)-4,5-dihydrobenz[g]ind...)
Show SMILES COCCNC(=O)c1noc-2c1CCc1cc(OC)ccc-21
Show InChI InChI=1S/C16H18N2O4/c1-20-8-7-17-16(19)14-13-5-3-10-9-11(21-2)4-6-12(10)15(13)22-18-14/h4,6,9H,3,5,7-8H2,1-2H3,(H,17,19)
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n/an/a 4.36E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM33437
PNG
((5-amino-3-phenyl-1,2,4-triazol-1-yl)-(3,4-dimetho...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
Show InChI InChI=1S/C17H16N4O3/c1-23-13-9-8-12(10-14(13)24-2)16(22)21-17(18)19-15(20-21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,18,19,20)
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n/an/a 4.43E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM33609
PNG
((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Show SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C14H14ClN5O3/c15-10-3-1-9(2-4-10)12(21)20-14(16)17-11(18-20)13(22)19-5-7-23-8-6-19/h1-4H,5-8H2,(H2,16,17,18)
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n/an/a 4.51E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41406
PNG
(MLS000087455 | N-(1,5-dimethyl-3-oxidanylidene-2-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3CCc2c1
Show InChI InChI=1S/C24H22N4O4/c1-14-20(24(30)28(27(14)2)16-7-5-4-6-8-16)25-23(29)21-19-11-9-15-13-17(31-3)10-12-18(15)22(19)32-26-21/h4-8,10,12-13H,9,11H2,1-3H3,(H,25,29)
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n/an/a 4.64E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41414
PNG
(5-[(3-methyl-2-thienyl)methylene][1,3]thiazolo[3,2...)
Show SMILES Cc1ccsc1C=c1sc2ncnn2c1=O
Show InChI InChI=1S/C10H7N3OS2/c1-6-2-3-15-7(6)4-8-9(14)13-10(16-8)11-5-12-13/h2-5H,1H3
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n/an/a 4.66E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41393
PNG
(MLS000087427 | N-(2-morpholin-4-ylethyl)-4,5-dihyd...)
Show SMILES O=C(NCCN1CCOCC1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C18H21N3O3/c22-18(19-7-8-21-9-11-23-12-10-21)16-15-6-5-13-3-1-2-4-14(13)17(15)24-20-16/h1-4H,5-12H2,(H,19,22)
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n/an/a 5.32E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41405
PNG
(7-methoxy-N-(2-morpholin-4-ylethyl)-4,5-dihydroben...)
Show SMILES COc1ccc2-c3onc(C(=O)NCCN4CCOCC4)c3CCc2c1
Show InChI InChI=1S/C19H23N3O4/c1-24-14-3-5-15-13(12-14)2-4-16-17(21-26-18(15)16)19(23)20-6-7-22-8-10-25-11-9-22/h3,5,12H,2,4,6-11H2,1H3,(H,20,23)
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n/an/a 5.82E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM39483
PNG
(7-methoxy-N-(1-methoxypropan-2-yl)-4,5-dihydrobenz...)
Show SMILES COCC(C)NC(=O)c1noc-2c1CCc1cc(OC)ccc-21
Show InChI InChI=1S/C17H20N2O4/c1-10(9-21-2)18-17(20)15-14-6-4-11-8-12(22-3)5-7-13(11)16(14)23-19-15/h5,7-8,10H,4,6,9H2,1-3H3,(H,18,20)
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n/an/a 6.40E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41416
PNG
(MLS000116424 | N-[3,5-dimethyl-1-(2-methylbenzyl)p...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C25H24N4O2/c1-15-8-4-5-10-19(15)14-29-17(3)22(16(2)27-29)26-25(30)23-21-13-12-18-9-6-7-11-20(18)24(21)31-28-23/h4-11H,12-14H2,1-3H3,(H,26,30)
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n/an/a 6.45E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32755
PNG
(2-thiophenecarboxylic acid [5-amino-1-(4-methylphe...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
Show InChI InChI=1S/C15H13N3O4S2/c1-10-4-6-11(7-5-10)24(20,21)18-13(16)9-14(17-18)22-15(19)12-3-2-8-23-12/h2-9H,16H2,1H3
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n/an/a 8.07E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41383
PNG
(MLS000084061 | N-[(1S)-1-[5-(2-chloro-6-fluoro-ben...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl
Show InChI InChI=1S/C18H23ClFN3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1
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n/an/a 9.38E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32787
PNG
(1-[2-(ethylthio)benzoyl]-1H-1,2,3-benzotriazole | ...)
Show SMILES CCSc1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C15H13N3OS/c1-2-20-14-10-6-3-7-11(14)15(19)18-13-9-5-4-8-12(13)16-17-18/h3-10H,2H2,1H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32794
PNG
(1-benzoyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-in...)
Show SMILES Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2O2/c1-11-15-13(9-17(2,3)10-14(15)20)19(18-11)16(21)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41404
PNG
(MLS000087096 | N-(4-chlorobenzyl)-5-(2-methoxyphen...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O3/c1-23-16-5-3-2-4-14(16)17-10-15(21-24-17)18(22)20-11-12-6-8-13(19)9-7-12/h2-10H,11H2,1H3,(H,20,22)
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n/an/a 1.11E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32797
PNG
(2-furanyl-[3-(2-furanyl)-5-(methylthio)-1,2,4-tria...)
Show SMILES CSc1nc(nn1C(=O)c1ccco1)-c1ccco1
Show InChI InChI=1S/C12H9N3O3S/c1-19-12-13-10(8-4-2-6-17-8)14-15(12)11(16)9-5-3-7-18-9/h2-7H,1H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32758
PNG
(1,3-Bis-(furan-2-carbonyl)-5-methyl-2-oxo-2,3-dihy...)
Show SMILES CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
Show InChI InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41409
PNG
(5-(2-methoxyphenyl)-N-(phenylmethyl)-1,2-oxazole-3...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H16N2O3/c1-22-16-10-6-5-9-14(16)17-11-15(20-23-17)18(21)19-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)
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n/an/a 1.33E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM37065
PNG
(MLS000087452 | N-(3,4-dimethoxyphenyl)-7-methoxy-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccc(OC)c(OC)c4)c3CCc2c1
Show InChI InChI=1S/C21H20N2O5/c1-25-14-6-8-15-12(10-14)4-7-16-19(23-28-20(15)16)21(24)22-13-5-9-17(26-2)18(11-13)27-3/h5-6,8-11H,4,7H2,1-3H3,(H,22,24)
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n/an/a 1.45E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41396
PNG
(5-thien-2-yl-N-(thien-2-ylmethyl)isoxazole-3-carbo...)
Show SMILES O=C(NCc1cccs1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S2/c16-13(14-8-9-3-1-5-18-9)10-7-11(17-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16)
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n/an/a 1.52E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM35486
PNG
(4-Methyl-benzoic acid 5-amino-1-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(C)cc2)cc1N
Show InChI InChI=1S/C18H17N3O5S/c1-12-3-5-13(6-4-12)18(22)26-17-11-16(19)21(20-17)27(23,24)15-9-7-14(25-2)8-10-15/h3-11H,19H2,1-2H3
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n/an/a 1.83E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41412
PNG
(5-(1,3-benzodioxol-5-yl)-N-[1-(3,4-dichlorobenzyl)...)
Show SMILES Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(on1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H18Cl2N4O4/c1-12-22(13(2)29(27-12)10-14-3-5-16(24)17(25)7-14)26-23(30)18-9-20(33-28-18)15-4-6-19-21(8-15)32-11-31-19/h3-9H,10-11H2,1-2H3,(H,26,30)
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n/an/a 1.86E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41402
PNG
(3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-4,5-di...)
Show SMILES O=C(N1CCc2ccccc2C1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C21H18N2O2/c24-21(23-12-11-14-5-1-2-7-16(14)13-23)19-18-10-9-15-6-3-4-8-17(15)20(18)25-22-19/h1-8H,9-13H2
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n/an/a 1.96E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41384
PNG
(MLS000042033 | N-[(1S,2R)-1-[5-(2,5-dimethylbenzyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
Show InChI InChI=1S/C21H31N3O5S/c1-8-14(3)17(22-19(25)29-21(5,6)7)18-23-24-20(28-18)30(26,27)12-16-11-13(2)9-10-15(16)4/h9-11,14,17H,8,12H2,1-7H3,(H,22,25)/t14-,17+/m1/s1
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n/an/a 2.02E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM35491
PNG
(Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N
Show InChI InChI=1S/C17H15N3O5S/c1-24-13-7-9-14(10-8-13)26(22,23)20-15(18)11-16(19-20)25-17(21)12-5-3-2-4-6-12/h2-11H,18H2,1H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32767
PNG
(4-[(5-acetoxy-2-phenyl-oxazol-4-yl)methyleneamino]...)
Show SMILES CCOC(=O)c1ccc(cc1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O5/c1-3-26-20(25)16-9-11-17(12-10-16)22-13-18-21(27-14(2)24)28-19(23-18)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b22-13+
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n/an/a 2.16E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41410
PNG
(5-(2-methoxyphenyl)-N-(1-phenylethyl)-1,2-oxazole-...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C19H18N2O3/c1-13(14-8-4-3-5-9-14)20-19(22)16-12-18(24-21-16)15-10-6-7-11-17(15)23-2/h3-13H,1-2H3,(H,20,22)
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n/an/a 2.18E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32669
PNG
((3,4-dimethoxyphenyl)-[3-(2-furanyl)-5-(methylthio...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
Show InChI InChI=1S/C16H15N3O4S/c1-21-11-7-6-10(9-13(11)22-2)15(20)19-16(24-3)17-14(18-19)12-5-4-8-23-12/h4-9H,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM36928
PNG
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C
Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1
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n/an/a 2.26E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM34586
PNG
(2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinolin...)
Show SMILES CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
Show InChI InChI=1S/C19H19NO4/c1-18(2)23-16(21)19(17(22)24-18)10-14-13-7-5-4-6-12(13)8-9-15(14)20(3)11-19/h4-9H,10-11H2,1-3H3
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n/an/a 2.33E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41382
PNG
((3-Amino-[1,2,4]triazol-4-yl)-thiophen-2-yl-methan...)
Show SMILES Nc1nncn1C(=O)c1cccs1
Show InChI InChI=1S/C7H6N4OS/c8-7-10-9-4-11(7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,10)
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n/an/a 2.84E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41381
PNG
(2-[(4-Methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl)-a...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1cc2sccc2n1C
Show InChI InChI=1S/C16H14N2O3S/c1-18-12-7-8-22-14(12)9-13(18)15(19)17-11-6-4-3-5-10(11)16(20)21-2/h3-9H,1-2H3,(H,17,19)
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n/an/a 3.04E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM33431
PNG
(3-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-1H-1,2...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4O3/c1-24-13-8-5-11(9-14(13)25-2)16(23)22-17(19)20-15(21-22)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H2,19,20,21)
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n/an/a 3.22E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41394
PNG
(5-(2,5-dimethoxyphenyl)-N-[3,5-dimethyl-1-(phenylm...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C
Show InChI InChI=1S/C24H24N4O4/c1-15-23(16(2)28(26-15)14-17-8-6-5-7-9-17)25-24(29)20-13-22(32-27-20)19-12-18(30-3)10-11-21(19)31-4/h5-13H,14H2,1-4H3,(H,25,29)
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n/an/a 3.30E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM32766
PNG
(MLS000027597 | SMR000039734 | [4-[(2-methoxyphenyl...)
Show SMILES COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
Show InChI InChI=1S/C19H16N2O4/c1-13(22)24-19-16(12-20-15-10-6-7-11-17(15)23-2)21-18(25-19)14-8-4-3-5-9-14/h3-12H,1-2H3/b20-12+
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n/an/a 3.79E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40904
PNG
((3-bromanyl-4-methoxy-phenyl)-(3-methylpyrazol-1-y...)
Show SMILES COc1ccc(cc1Br)C(=O)n1ccc(C)n1
Show InChI InChI=1S/C12H11BrN2O2/c1-8-5-6-15(14-8)12(16)9-3-4-11(17-2)10(13)7-9/h3-7H,1-2H3
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n/an/a 4.15E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41392
PNG
(5-(2-methoxyphenyl)-N-(3-pyridinyl)-3-isoxazolecar...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C16H13N3O3/c1-21-14-7-3-2-6-12(14)15-9-13(19-22-15)16(20)18-11-5-4-8-17-10-11/h2-10H,1H3,(H,18,20)
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n/an/a 4.32E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41399
PNG
(MLS000087122 | N-(4-chlorobenzyl)-5-(3,4-dimethoxy...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H17ClN2O4/c1-24-16-8-5-13(9-18(16)25-2)17-10-15(22-26-17)19(23)21-11-12-3-6-14(20)7-4-12/h3-10H,11H2,1-2H3,(H,21,23)
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n/an/a 4.32E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41391
PNG
(MLS000087058 | N-[1-(2-chlorobenzyl)-3,5-dimethyl-...)
Show SMILES COc1ccc(cc1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C
Show InChI InChI=1S/C23H21ClN4O3/c1-14-22(15(2)28(26-14)13-17-6-4-5-7-19(17)24)25-23(29)20-12-21(31-27-20)16-8-10-18(30-3)11-9-16/h4-12H,13H2,1-3H3,(H,25,29)
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n/an/a 4.44E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41400
PNG
(3-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-4,5-dihyd...)
Show SMILES O=C(N1CCCc2ccccc12)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C21H18N2O2/c24-21(23-13-5-8-15-7-2-4-10-18(15)23)19-17-12-11-14-6-1-3-9-16(14)20(17)25-22-19/h1-4,6-7,9-10H,5,8,11-13H2
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n/an/a 4.76E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41422
PNG
(2-[2-(4-fluorophenyl)-4-hydroxy-3-[(5-methyl-2-fur...)
Show SMILES COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H17FN2O6S/c1-10-4-9-14(31-10)17(26)15-16(12-5-7-13(23)8-6-12)25(20(28)18(15)27)22-24-11(2)19(32-22)21(29)30-3/h4-9,15-16H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41385
PNG
(3-(2,2-dimethyl-4-oxanyl)-4-methyl-1-(1-piperidiny...)
Show SMILES CC(C)C(CC(=O)N1CCCCC1)C1CCOC(C)(C)C1
Show InChI InChI=1S/C18H33NO2/c1-14(2)16(15-8-11-21-18(3,4)13-15)12-17(20)19-9-6-5-7-10-19/h14-16H,5-13H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41411
PNG
(5-amino-N-(4-fluorophenyl)-1-(3-methylphenyl)-1H-1...)
Show SMILES Cc1cccc(c1)-n1nnc(C(=O)Nc2ccc(F)cc2)c1N
Show InChI InChI=1S/C16H14FN5O/c1-10-3-2-4-13(9-10)22-15(18)14(20-21-22)16(23)19-12-7-5-11(17)6-8-12/h2-9H,18H2,1H3,(H,19,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM23426
PNG
(3-hydroxy-5-(4-methoxyphenyl)-1-(1,3,4-thiadiazol-...)
Show SMILES COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nncs1
Show InChI InChI=1S/C18H13N3O4S2/c1-25-11-6-4-10(5-7-11)14-13(15(22)12-3-2-8-26-12)16(23)17(24)21(14)18-20-19-9-27-18/h2-9,13-14H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41380
PNG
(5-Methyl-pyrazine-2-carboxylic acid [2-(5-methyl-f...)
Show SMILES Cc1ccc(o1)-c1ccccc1NC(=O)c1cnc(C)cn1
Show InChI InChI=1S/C17H15N3O2/c1-11-9-19-15(10-18-11)17(21)20-14-6-4-3-5-13(14)16-8-7-12(2)22-16/h3-10H,1-2H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41418
PNG
(2-ethyl-5-(4-keto-3,1-benzoxazin-2-yl)isoindoline-...)
Show SMILES CCN1C(=O)c2ccc(cc2C1=O)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C18H12N2O4/c1-2-20-16(21)11-8-7-10(9-13(11)17(20)22)15-19-14-6-4-3-5-12(14)18(23)24-15/h3-9H,2H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM38990
PNG
(MLS000047015 | N-(3-fluoranyl-4-methyl-phenyl)-2-(...)
Show SMILES Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F
Show InChI InChI=1S/C18H16FN3O2/c1-11-7-8-12(9-15(11)19)20-17(23)10-16-13-5-3-4-6-14(13)18(24)22(2)21-16/h3-9H,10H2,1-2H3,(H,20,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41417
PNG
(MLS000116423 | N-(5-methyl-2-phenyl-3-pyrazolyl)-4...)
Show SMILES Cc1cc(NC(=O)c2noc-3c2CCc2ccccc-32)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c1-14-13-19(26(24-14)16-8-3-2-4-9-16)23-22(27)20-18-12-11-15-7-5-6-10-17(15)21(18)28-25-20/h2-10,13H,11-12H2,1H3,(H,23,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40920
PNG
(2-[(2-phenylethylamino)methylidene]cyclohexane-1,3...)
Show SMILES O=C1CCCC(=O)C1=CNCCc1ccccc1
Show InChI InChI=1S/C15H17NO2/c17-14-7-4-8-15(18)13(14)11-16-10-9-12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40810
PNG
(3-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)imino-1,3-t...)
Show SMILES Oc1ccc(cc1)\N=C1/SCC(=O)N1c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-12-5-1-10(2-6-12)16-15-17(14(20)9-21-15)11-3-7-13(19)8-4-11/h1-8,18-19H,9H2/b16-15-
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41395
PNG
(MLS000093387 | N-(6-methoxy-4-pyrimidinyl)-4,5,6,7...)
Show SMILES COc1cc(NC(=O)c2csc3CCCCc23)ncn1
Show InChI InChI=1S/C14H15N3O2S/c1-19-13-6-12(15-8-16-13)17-14(18)10-7-20-11-5-3-2-4-9(10)11/h6-8H,2-5H2,1H3,(H,15,16,17,18)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41397
PNG
(3,4-dihydro-1H-isoquinolin-2-yl-(7-methoxy-4,5-dih...)
Show SMILES COc1ccc2-c3onc(C(=O)N4CCc5ccccc5C4)c3CCc2c1
Show InChI InChI=1S/C22H20N2O3/c1-26-17-7-9-18-15(12-17)6-8-19-20(23-27-21(18)19)22(25)24-11-10-14-4-2-3-5-16(14)13-24/h2-5,7,9,12H,6,8,10-11,13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41408
PNG
(4-[[2-(1-ethylindol-3-yl)sulfonylacetyl]amino]benz...)
Show SMILES CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1
Show InChI InChI=1S/C21H22N2O5S/c1-3-23-13-19(17-7-5-6-8-18(17)23)29(26,27)14-20(24)22-16-11-9-15(10-12-16)21(25)28-4-2/h5-13H,3-4,14H2,1-2H3,(H,22,24)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41413
PNG
(6,7-dimethoxy-2-(2-thienyl)-3,1-benzoxazin-4-one |...)
Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1cccs1
Show InChI InChI=1S/C14H11NO4S/c1-17-10-6-8-9(7-11(10)18-2)15-13(19-14(8)16)12-4-3-5-20-12/h3-7H,1-2H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41421
PNG
(1-(4-morpholinyl)-3-[[1-(phenylmethyl)-2-imidazoly...)
Show SMILES O=C(CCSc1nccn1Cc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C17H21N3O2S/c21-16(19-9-11-22-12-10-19)6-13-23-17-18-7-8-20(17)14-15-4-2-1-3-5-15/h1-5,7-8H,6,9-14H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41386
PNG
(5-cyano-4-(2-methoxyphenyl)-2-methyl-6-(2-oxidanyl...)
Show SMILES COc1ccccc1-c1c(C#N)c(SCC(=O)N2CCCC2)nc(C)c1C(N)=O
Show InChI InChI=1S/C21H22N4O3S/c1-13-18(20(23)27)19(14-7-3-4-8-16(14)28-2)15(11-22)21(24-13)29-12-17(26)25-9-5-6-10-25/h3-4,7-8H,5-6,9-10,12H2,1-2H3,(H2,23,27)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40840
PNG
(5-(3,4-dimethoxyphenyl)-N-(4-methoxybenzyl)isoxazo...)
Show SMILES COc1ccc(CNC(=O)c2cc(on2)-c2ccc(OC)c(OC)c2)cc1
Show InChI InChI=1S/C20H20N2O5/c1-24-15-7-4-13(5-8-15)12-21-20(23)16-11-18(27-22-16)14-6-9-17(25-2)19(10-14)26-3/h4-11H,12H2,1-3H3,(H,21,23)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM33426
PNG
((5-Amino-3-p-tolyl-[1,2,4]triazol-1-yl)-(3,4-dimet...)
Show SMILES COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C18H18N4O3/c1-11-4-6-12(7-5-11)16-20-18(19)22(21-16)17(23)13-8-9-14(24-2)15(10-13)25-3/h4-10H,1-3H3,(H2,19,20,21)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM40930
PNG
(2-methyl-5-(2-thienyl)thieno[2,3-d][1,3]oxazin-4-o...)
Show SMILES Cc1nc2scc(-c3cccs3)c2c(=O)o1
Show InChI InChI=1S/C11H7NO2S2/c1-6-12-10-9(11(13)14-6)7(5-16-10)8-3-2-4-15-8/h2-5H,1H3
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41415
PNG
(2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quina...)
Show SMILES O=c1[nH]c(CN2CCc3ccccc3C2)nc2ccccc12
Show InChI InChI=1S/C18H17N3O/c22-18-15-7-3-4-8-16(15)19-17(20-18)12-21-10-9-13-5-1-2-6-14(13)11-21/h1-8H,9-12H2,(H,19,20,22)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41389
PNG
(3-(morpholin-4-ylcarbonyl)-4,5-dihydronaphtho[2,1-...)
Show SMILES O=C(N1CCOCC1)c1noc-2c1CCc1ccccc-21
Show InChI InChI=1S/C16H16N2O3/c19-16(18-7-9-20-10-8-18)14-13-6-5-11-3-1-2-4-12(11)15(13)21-17-14/h1-4H,5-10H2
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens)
BDBM41407
PNG
(5-(3-methoxyphenyl)-N-(2-phenylethyl)-1,2-oxazole-...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H18N2O3/c1-23-16-9-5-8-15(12-16)18-13-17(21-24-18)19(22)20-11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QF8R8B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%