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Compile Data Set for Download or QSAR

Found 93 hits of Enz. Inhib. data with enzyme = 'Cathepsin G' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/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
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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MMDB

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PCBioAssay
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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PCBioAssay
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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PCBioAssay
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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PCBioAssay
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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PCBioAssay
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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PCBioAssay
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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PCBioAssay
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
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