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PubChem AID 720500

Compile Data Set for Download or QSAR

Found 248 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
Kallikrein 7


(Homo sapiens)
BDBM38304
PNG
(MLS000072545 | N'-(2,5-dimethylphenyl)-N-[4-(2-fur...)
Show SMILES COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1C
Show InChI InChI=1S/C25H27N3O6/c1-15-7-8-16(2)17(12-15)26-23(29)9-10-24(30)27-18-13-22(33-4)19(14-21(18)32-3)28-25(31)20-6-5-11-34-20/h5-8,11-14H,9-10H2,1-4H3,(H,26,29)(H,27,30)(H,28,31)
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n/an/an/an/a 2.68E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100001
PNG
(7-(2-methoxyphenyl)-5-(4-methylphenyl)-1,7-dihydro...)
Show SMILES COc1ccccc1C1CC(=Nc2nnnn12)c1ccc(C)cc1
Show InChI InChI=1S/C18H17N5O/c1-12-7-9-13(10-8-12)15-11-16(23-18(19-15)20-21-22-23)14-5-3-4-6-17(14)24-2/h3-10,16H,11H2,1-2H3
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n/an/an/an/a 2.35E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100003
PNG
(5-ethyl-6-(2-pyridinyl)-6H-benzimidazolo[1,2-c]qui...)
Show SMILES CCN1C(c2ccccn2)n2c(nc3ccccc23)-c2ccccc12
Show InChI InChI=1S/C21H18N4/c1-2-24-18-12-5-3-9-15(18)20-23-16-10-4-6-13-19(16)25(20)21(24)17-11-7-8-14-22-17/h3-14,21H,2H2,1H3
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100011
PNG
((3-methyl-1-pyridin-2-yl-6-thiophen-2-yl-pyrazolo[...)
Show SMILES Cc1nn(-c2ccccn2)c2nc(cc(C(=O)N3CCOCC3)c12)-c1cccs1
Show InChI InChI=1S/C21H19N5O2S/c1-14-19-15(21(27)25-8-10-28-11-9-25)13-16(17-5-4-12-29-17)23-20(19)26(24-14)18-6-2-3-7-22-18/h2-7,12-13H,8-11H2,1H3
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM48642
PNG
(2-(4-amino-3,5-dichlorophenyl)-3H-benzimidazol-5-a...)
Show SMILES Nc1ccc2nc([nH]c2c1)-c1cc(Cl)c(N)c(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4/c14-8-3-6(4-9(15)12(8)17)13-18-10-2-1-7(16)5-11(10)19-13/h1-5H,16-17H2,(H,18,19)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100032
PNG
(2-[4-amino-3-methyl-5-(3-methylphenyl)pyrazolo[3,4...)
Show SMILES Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3cccc(C)c3)c(N)c12
Show InChI InChI=1S/C19H22N6OS/c1-12-6-5-7-14(10-12)25-17(20)16-13(2)22-23-18(16)21-19(25)27-11-15(26)24-8-3-4-9-24/h5-7,10H,3-4,8-9,11,20H2,1-2H3
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n/an/an/an/a 1.33E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100038
PNG
(2-[(3-methylbenzylidene)amino]benzamide | 2-[(3-me...)
Show SMILES Cc1cccc(\C=N\c2ccccc2C(N)=O)c1
Show InChI InChI=1S/C15H14N2O/c1-11-5-4-6-12(9-11)10-17-14-8-3-2-7-13(14)15(16)18/h2-10H,1H3,(H2,16,18)/b17-10+
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM74788
PNG
((6-Methyl-4-phenyl-quinazolin-2-ylamino)-acetic ac...)
Show SMILES Cc1ccc2nc(NCC(O)=O)nc(-c3ccccc3)c2c1
Show InChI InChI=1S/C17H15N3O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)20-17(19-14)18-10-15(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
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n/an/an/an/a 1.45E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM65154
PNG
(6-chloro-4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl...)
Show SMILES COc1ccc(cc1)-c1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12
Show InChI InChI=1S/C23H21ClO5/c1-27-16-9-7-14(8-10-16)17-12-22(25)28-20-13-21(19(24)11-18(17)20)29-23(26)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100051
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-p...)
Show SMILES NS(=O)(=O)c1ccc2n(CC=C)\c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
Show InChI InChI=1S/C26H24N4O5S3/c1-2-14-30-23-12-11-22(37(27,32)33)16-24(23)36-26(30)28-25(31)19-7-9-21(10-8-19)38(34,35)29-15-13-18-5-3-4-6-20(18)17-29/h2-12,16H,1,13-15,17H2,(H2,27,32,33)/b28-26+
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100064
PNG
(5-keto-2-[(E)-3-phenylacryloyl]imino-1-(tetrahydro...)
Show SMILES CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CC2CCCO2)\c1=N\C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C28H26N4O5/c1-2-36-28(35)22-17-21-25(29-23-12-6-7-15-31(23)27(21)34)32(18-20-11-8-16-37-20)26(22)30-24(33)14-13-19-9-4-3-5-10-19/h3-7,9-10,12-15,17,20H,2,8,11,16,18H2,1H3/b14-13+,30-26+
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100066
PNG
(MLS000686440 | N-[2-(3,4-dimethoxyphenyl)-4-keto-1...)
Show SMILES COc1ccc(cc1OC)C1Nc2ccccc2C(=O)N1NS(C)(=O)=O
Show InChI InChI=1S/C17H19N3O5S/c1-24-14-9-8-11(10-15(14)25-2)16-18-13-7-5-4-6-12(13)17(21)20(16)19-26(3,22)23/h4-10,16,18-19H,1-3H3
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n/an/an/an/a 3.88E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100072
PNG
(MLS000720772 | N-(5H-[1]benzopyrano[4,3-d]pyrimidi...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ncc2COc3ccccc3-c2n1
Show InChI InChI=1S/C18H12FN3O2/c19-13-7-5-11(6-8-13)17(23)22-18-20-9-12-10-24-15-4-2-1-3-14(15)16(12)21-18/h1-9H,10H2,(H,20,21,22,23)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100081
PNG
(4-[[2-(4-fluorophenyl)-4-keto-1,2-dihydroquinazoli...)
Show SMILES OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H16FN3O4/c19-12-7-5-11(6-8-12)17-20-14-4-2-1-3-13(14)18(26)22(17)21-15(23)9-10-16(24)25/h1-8,17,20H,9-10H2,(H,21,23)(H,24,25)
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n/an/an/an/a>286n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100089
PNG
(MLS000850373 | N-(4-{[(2,4-difluoroanilino)carbony...)
Show SMILES Oc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C20H15F2N3O3/c21-12-5-10-17(16(22)11-12)25-20(28)24-14-8-6-13(7-9-14)23-19(27)15-3-1-2-4-18(15)26/h1-11,26H,(H,23,27)(H2,24,25,28)
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n/an/an/an/a 9.78E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100099
PNG
(6-Chloro-2-methyl-imidazo[1,2-a]pyridine-3-carboxy...)
Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3ccc(Cl)cn23)cc(OC)c1OC
Show InChI InChI=1S/C19H19ClN4O4/c1-11-17(24-10-13(20)5-6-16(24)22-11)19(25)23-21-9-12-7-14(26-2)18(28-4)15(8-12)27-3/h5-10H,1-4H3,(H,23,25)/b21-9+
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n/an/an/an/a 2.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100110
PNG
(2-[2-(2,3,4,9-tetramethyl-7-oxidanylidene-furo[2,3...)
Show SMILES CCC(NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(O)=O
Show InChI InChI=1S/C21H23NO6/c1-6-14(20(24)25)22-16(23)8-13-11(4)18-15(28-21(13)26)7-9(2)17-10(3)12(5)27-19(17)18/h7,14H,6,8H2,1-5H3,(H,22,23)(H,24,25)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100115
PNG
(MLS001198754 | N-[2-(2,4-dimethoxyphenyl)-4-keto-1...)
Show SMILES COc1ccc(C2Nc3ccccc3C(=O)N2NC(C)=O)c(OC)c1
Show InChI InChI=1S/C18H19N3O4/c1-11(22)20-21-17(14-9-8-12(24-2)10-16(14)25-3)19-15-7-5-4-6-13(15)18(21)23/h4-10,17,19H,1-3H3,(H,20,22)
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n/an/an/an/a 9.55E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100124
PNG
(MLS001031137 | N-cyclopropyl-2-(4-methoxyphenyl)-4...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CC2)c2ccccc2n1
Show InChI InChI=1S/C20H18N2O2/c1-24-15-10-6-13(7-11-15)19-12-17(20(23)21-14-8-9-14)16-4-2-3-5-18(16)22-19/h2-7,10-12,14H,8-9H2,1H3,(H,21,23)
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n/an/an/an/a 8.64E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM90971
PNG
(4-ethyl-N-(2-fluorobenzyl)-2,3-dihydro-1,4-benzoth...)
Show SMILES CCN1CCSc2ccc(cc12)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C18H19FN2OS/c1-2-21-9-10-23-17-8-7-13(11-16(17)21)18(22)20-12-14-5-3-4-6-15(14)19/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100132
PNG
(5-(2-furanyl)-N-[3-(4-morpholinyl)propyl]-7-(trifl...)
Show SMILES FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN1CCOCC1)-c1ccco1
Show InChI InChI=1S/C19H20F3N5O3/c20-19(21,22)16-11-13(15-3-1-8-30-15)24-17-12-14(25-27(16)17)18(28)23-4-2-5-26-6-9-29-10-7-26/h1,3,8,11-12H,2,4-7,9-10H2,(H,23,28)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100151
PNG
((4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothi...)
Show SMILES Nc1nccnc1C(=O)OCc1nc2sc3CCCCc3c2c(=O)[nH]1
Show InChI InChI=1S/C16H15N5O3S/c17-13-12(18-5-6-19-13)16(23)24-7-10-20-14(22)11-8-3-1-2-4-9(8)25-15(11)21-10/h5-6H,1-4,7H2,(H2,17,19)(H,20,21,22)
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n/an/an/an/a 6.33E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100153
PNG
((E)-3-(2,5-dimethoxyphenyl)-2-propenoic acid [2-(2...)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)OCC(=O)NCc2ccco2)c1
Show InChI InChI=1S/C18H19NO6/c1-22-14-6-7-16(23-2)13(10-14)5-8-18(21)25-12-17(20)19-11-15-4-3-9-24-15/h3-10H,11-12H2,1-2H3,(H,19,20)/b8-5+
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100163
PNG
(2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,...)
Show SMILES CCc1ccccc1NC(=O)CSc1nc2nnc(C)c2c(N)n1-c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N6O2S/c1-4-15-7-5-6-8-18(15)25-19(30)13-32-23-26-22-20(14(2)27-28-22)21(24)29(23)16-9-11-17(31-3)12-10-16/h5-12H,4,13,24H2,1-3H3,(H,25,30)
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n/an/an/an/a 4.10E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100169
PNG
(4-ketospiro[1,3-dihydroquinazoline-2,4'-piperidine...)
Show SMILES CCOC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2
Show InChI InChI=1S/C15H19N3O3/c1-2-21-14(20)18-9-7-15(8-10-18)16-12-6-4-3-5-11(12)13(19)17-15/h3-6,16H,2,7-10H2,1H3,(H,17,19)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100183
PNG
(MLS001105219 | N-(2-imidazo[1,2-a]pyrimidin-2-ylet...)
Show SMILES COc1cccc(CN2CC(CCC2=O)C(=O)NCCc2cn3cccnc3n2)c1
Show InChI InChI=1S/C22H25N5O3/c1-30-19-5-2-4-16(12-19)13-27-14-17(6-7-20(27)28)21(29)23-10-8-18-15-26-11-3-9-24-22(26)25-18/h2-5,9,11-12,15,17H,6-8,10,13-14H2,1H3,(H,23,29)
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n/an/an/an/a 2.39E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100189
PNG
(4-[7-(4-carbamoylphenyl)-1-(2-cyclopropyl-2-keto-e...)
Show SMILES COC(=O)c1ccc(cc1)N1C(CC(=O)C2CC2)c2cc(ccc2C=C1c1cc(OC)cc(OC)c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C37H34N2O6/c1-43-30-16-28(17-31(20-30)44-2)33-19-27-11-10-26(22-4-8-24(9-5-22)36(38)41)18-32(27)34(21-35(40)23-6-7-23)39(33)29-14-12-25(13-15-29)37(42)45-3/h4-5,8-20,23,34H,6-7,21H2,1-3H3,(H2,38,41)
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n/an/an/an/a>7.72E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM99997
PNG
(2-(1,3-benzodioxol-5-yl)-1,3-dimethyl-2H-quinazoli...)
Show SMILES CN1C(N(C)c2ccccc2C1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H16N2O3/c1-18-13-6-4-3-5-12(13)17(20)19(2)16(18)11-7-8-14-15(9-11)22-10-21-14/h3-9,16H,10H2,1-2H3
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM34576
PNG
(1-(allylamino)-3-(benzylamino)-7-methyl-6,8-dihydr...)
Show SMILES CN1CCc2c(C1)c(NCC=C)nc(NCc1ccccc1)c2C#N
Show InChI InChI=1S/C20H23N5/c1-3-10-22-20-18-14-25(2)11-9-16(18)17(12-21)19(24-20)23-13-15-7-5-4-6-8-15/h3-8H,1,9-11,13-14H2,2H3,(H2,22,23,24)
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n/an/an/an/a 1.31E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100004
PNG
(3-(4-bromophenyl)-7-hydroxy-8-(4-morpholinylmethyl...)
Show SMILES Oc1ccc2c(occ(-c3ccc(Br)cc3)c2=O)c1CN1CCOCC1
Show InChI InChI=1S/C20H18BrNO4/c21-14-3-1-13(2-4-14)17-12-26-20-15(19(17)24)5-6-18(23)16(20)11-22-7-9-25-10-8-22/h1-6,12,23H,7-11H2
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n/an/an/an/a 6.61E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM47403
PNG
(MLS000550559 | N-(9H-carbazol-1-yl)-2,2,2-trifluor...)
Show SMILES FC(F)(F)C(=O)Nc1cccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C14H9F3N2O/c15-14(16,17)13(20)19-11-7-3-5-9-8-4-1-2-6-10(8)18-12(9)11/h1-7,18H,(H,19,20)
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n/an/an/an/a 3.18E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100036
PNG
(1'-acetyl-6-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy...)
Show SMILES CCN1CCN(CC1)C(=O)COc1ccc2OC3(CCN(CC3)C(C)=O)CC(=O)c2c1
Show InChI InChI=1S/C23H31N3O5/c1-3-24-10-12-26(13-11-24)22(29)16-30-18-4-5-21-19(14-18)20(28)15-23(31-21)6-8-25(9-7-23)17(2)27/h4-5,14H,3,6-13,15-16H2,1-2H3
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n/an/an/an/a>2.58E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100043
PNG
(2-Imino-8-methyl-10-oxo-1-pyridin-3-ylmethyl-1,10-...)
Show SMILES CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2cccnc2)c1=N
Show InChI InChI=1S/C23H24N6O2/c1-3-4-10-26-22(30)17-12-18-21(27-20-15(2)7-6-11-28(20)23(18)31)29(19(17)24)14-16-8-5-9-25-13-16/h5-9,11-13,24H,3-4,10,14H2,1-2H3,(H,26,30)
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n/an/an/an/a 4.23E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM90096
PNG
(MLS000578964 | SMR000198786 | butyl 3-(3-methylphe...)
Show SMILES CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O
Show InChI InChI=1S/C21H20O6/c1-3-4-10-24-21(23)27-16-8-9-17-18(12-16)25-13-19(20(17)22)26-15-7-5-6-14(2)11-15/h5-9,11-13H,3-4,10H2,1-2H3
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n/an/an/an/a 6.86E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100062
PNG
(5-keto-8-methyl-N-(tetrahydrofurfuryl)-2-(tetrahyd...)
Show SMILES Cc1ccc2nc3nc(NCC4CCCO4)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C23H27N5O4/c1-14-6-7-19-26-21-18(23(30)28(19)13-14)10-17(22(29)25-12-16-5-3-9-32-16)20(27-21)24-11-15-4-2-8-31-15/h6-7,10,13,15-16H,2-5,8-9,11-12H2,1H3,(H,24,27)(H,25,29)
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n/an/an/an/a 7.79E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM52680
PNG
((2Z)-7-[(4-ethyl-1-piperazinyl)methyl]-6-hydroxy-2...)
Show SMILES CCN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1
Show InChI InChI=1S/C23H26N2O3/c1-3-24-10-12-25(13-11-24)15-19-20(26)9-8-18-22(27)21(28-23(18)19)14-17-6-4-16(2)5-7-17/h4-9,14,26H,3,10-13,15H2,1-2H3/b21-14-
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n/an/an/an/a 2.39E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100079
PNG
((E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(2,5-dim...)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)NCCc2nc3ccccc3[nH]2)c1
Show InChI InChI=1S/C20H21N3O3/c1-25-15-8-9-18(26-2)14(13-15)7-10-20(24)21-12-11-19-22-16-5-3-4-6-17(16)23-19/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)/b10-7+
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100088
PNG
(MLS000763083 | N-[1-[3-[(4-acetamidophenyl)sulfony...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1-n1ccc(cc1)=NC(=O)c1ccccc1
Show InChI InChI=1S/C28H22N6O4S/c1-19(35)29-21-11-13-23(14-12-21)39(37,38)33-26-27(32-25-10-6-5-9-24(25)31-26)34-17-15-22(16-18-34)30-28(36)20-7-3-2-4-8-20/h2-18H,1H3,(H,29,35)(H,31,33)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100091
PNG
(2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazol...)
Show SMILES CSc1ccc(cc1)C1NC(=O)c2ccccc2N1
Show InChI InChI=1S/C15H14N2OS/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM81149
PNG
(MLS001213181 | N'-(10H-indolo[3,2-b]quinolin-2-yl)...)
Show SMILES CN(C)C=Nc1ccc2nc3c(cc2c1)[nH]c1ccccc31
Show InChI InChI=1S/C18H16N4/c1-22(2)11-19-13-7-8-15-12(9-13)10-17-18(21-15)14-5-3-4-6-16(14)20-17/h3-11,20H,1-2H3/b19-11+
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n/an/an/an/a>2.57E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM83808
PNG
(5-bromanyl-6-oxidanylidene-N-(2-phenylethyl)pyran-...)
Show SMILES Brc1cc(coc1=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H12BrNO3/c15-12-8-11(9-19-14(12)18)13(17)16-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,16,17)
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n/an/an/an/a 1.65E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100108
PNG
(MLS001210971 | N-[2-(4-Acetylamino-phenyl)-benzoox...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc2ccc(NC(C)=O)cc2o1
Show InChI InChI=1S/C17H15N3O3/c1-10(21)18-13-5-3-12(4-6-13)17-20-15-8-7-14(19-11(2)22)9-16(15)23-17/h3-9H,1-2H3,(H,18,21)(H,19,22)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100121
PNG
(MLS000936986 | N-(3,4-dimethoxyphenyl)-5-(2-furany...)
Show SMILES COc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1OC
Show InChI InChI=1S/C16H14N2O5/c1-20-12-6-5-10(8-14(12)21-2)17-16(19)11-9-15(23-18-11)13-4-3-7-22-13/h3-9H,1-2H3,(H,17,19)
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n/an/an/an/a 1.31E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100135
PNG
(MLS000950320 | SMR000621741 | cid_866601)
Show SMILES O=C(NC1CCCCCC1)c1cc2c(nc3ccccn3c2=O)s1
Show InChI InChI=1S/C18H19N3O2S/c22-16(19-12-7-3-1-2-4-8-12)14-11-13-17(24-14)20-15-9-5-6-10-21(15)18(13)23/h5-6,9-12H,1-4,7-8H2,(H,19,22)
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n/an/an/an/a>6.95E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100138
PNG
(2-bromanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)benz...)
Show SMILES CC(=O)c1cc2OCOc2cc1NS(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C15H12BrNO5S/c1-9(18)10-6-13-14(22-8-21-13)7-12(10)17-23(19,20)15-5-3-2-4-11(15)16/h2-7,17H,8H2,1H3
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n/an/an/an/a 6.62E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100141
PNG
((2E)-3-(4-hydroxyphenyl)-2-[2-(4-ketocyclohexa-2,5...)
Show SMILES Oc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H16N2O3/c25-17-10-5-15(6-11-17)7-14-21-23-20-4-2-1-3-19(20)22(27)24(21)16-8-12-18(26)13-9-16/h1-14,25-26H
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n/an/an/an/a 2.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM52033
PNG
((2S)-2-[[1-oxo-2-[(4,8,8-trimethyl-2-oxo-9,10-dihy...)
Show SMILES Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c12
Show InChI InChI=1S/C26H27NO7/c1-15-11-22(29)33-24-17-9-10-26(2,3)34-19(17)13-20(23(15)24)32-14-21(28)27-18(25(30)31)12-16-7-5-4-6-8-16/h4-8,11,13,18H,9-10,12,14H2,1-3H3,(H,27,28)(H,30,31)/t18-/m0/s1
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n/an/an/an/a 4.90E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM83150
PNG
(6-(4-mesylphenyl)-N-morpholino-thieno[2,3-f][1,3]b...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NN1CCOCC1
Show InChI InChI=1S/C21H20N2O6S2/c1-31(25,26)14-4-2-13(3-5-14)20-19(21(24)22-23-6-8-27-9-7-23)15-10-16-17(29-12-28-16)11-18(15)30-20/h2-5,10-11H,6-9,12H2,1H3,(H,22,24)
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n/an/an/an/a>2.32E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100165
PNG
(2-[(1S,3R,12bS)-10-(2-furanyl)-4-oxo-1-[oxo(1-pipe...)
Show SMILES O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@]2(CCc3ccccc3)N(CCc3c2[nH]c2cc(ccc32)-c2ccco2)C1=O)NCCN1CCOCC1
Show InChI InChI=1S/C41H49N5O5/c47-37(42-16-20-44-21-24-50-25-22-44)28-31-26-34(40(49)45-17-5-2-6-18-45)41(15-13-29-8-3-1-4-9-29)38-33(14-19-46(41)39(31)48)32-12-11-30(27-35(32)43-38)36-10-7-23-51-36/h1,3-4,7-12,23,27,31,34,43H,2,5-6,13-22,24-26,28H2,(H,42,47)/t31-,34-,41+/m1/s1
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n/an/an/an/a 8.82E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM100171
PNG
(MLS002920943 | N-((2S,3R,12bS)-3-((S)-1-hydroxyeth...)
Show SMILES C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H27N3O4S/c1-15(28)22-20(26(2)32(30,31)16-8-4-3-5-9-16)14-21-23-18(12-13-27(21)24(22)29)17-10-6-7-11-19(17)25-23/h3-11,15,20-22,25,28H,12-14H2,1-2H3/t15-,20-,21-,22-/m0/s1
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n/an/an/an/a 7.44E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q29G5KF0
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%