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Compile Data Set for Download or QSAR

Found 248 hits Enz. Inhib. hit(s) with all data for entry = 5908   
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 (Human))
BDBM99996
PNG
(1-(4-Hydroxy-butylamino)-3-methyl-benzo[4,5]imidaz...)
Show SMILES Cc1cc(NCCCCO)n2c(nc3ccccc23)c1C#N
Show InChI InChI=1S/C17H18N4O/c1-12-10-16(19-8-4-5-9-22)21-15-7-3-2-6-14(15)20-17(21)13(12)11-18/h2-3,6-7,10,19,22H,4-5,8-9H2,1H3
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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 (Human))
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 (Human))
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 (Human))
BDBM99998
PNG
(4-(2,4-Dimethoxy-phenyl)-2,7,7-trimethyl-3-(morpho...)
Show SMILES COc1ccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)c(OC)c1 |c:16,19|
Show InChI InChI=1S/C25H32N2O5/c1-15-21(24(29)27-8-10-32-11-9-27)22(17-7-6-16(30-4)12-20(17)31-5)23-18(26-15)13-25(2,3)14-19(23)28/h6-7,12,22-23H,8-11,13-14H2,1-5H3
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n/an/an/an/a 5.24E+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 (Human))
BDBM53585
PNG
(1,2-dimethylpyrrolo[1,2-a]pyrazin-5-ium;iodide | M...)
Show SMILES Cc1n(C)cc[n+]2cccc12
Show InChI InChI=1S/C9H11N2/c1-8-9-4-3-5-11(9)7-6-10(8)2/h3-7H,1-2H3/q+1
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n/an/an/an/a 1.75E+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 (Human))
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 (Human))
BDBM77974
PNG
((6Z)-6-[4-(3-fluoroanilino)-6-methyl-1H-pyrimidin-...)
Show SMILES Cc1cc(Nc2cccc(F)c2)nc(n1)-c1ccccc1O
Show InChI InChI=1S/C17H14FN3O/c1-11-9-16(20-13-6-4-5-12(18)10-13)21-17(19-11)14-7-2-3-8-15(14)22/h2-10,22H,1H3,(H,19,20,21)
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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 (Human))
BDBM99999
PNG
(5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C18H14N4O/c1-23-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22-18(21-16)19-12-20-22/h2-12H,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 (Human))
BDBM100000
PNG
(6-chloranyl-8-[(4-methylpiperazin-1-yl)methyl]-7-o...)
Show SMILES CN1CCN(Cc2c(O)c(Cl)cc3c(cc(=O)oc23)-c2ccccc2)CC1
Show InChI InChI=1S/C21H21ClN2O3/c1-23-7-9-24(10-8-23)13-17-20(26)18(22)11-16-15(12-19(25)27-21(16)17)14-5-3-2-4-6-14/h2-6,11-12,26H,7-10,13H2,1H3
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n/an/an/an/a 6.83E+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 (Human))
BDBM100001
PNG
(7-(2-methoxyphenyl)-5-(4-methylphenyl)-1,7-dihydro...)
Show SMILES COc1ccccc1C1CC(=Nc2nnnn12)c1ccc(C)cc1 |c:11|
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 (Human))
BDBM100002
PNG
(3-(4-bromophenyl)-2-methyl-7-oxidanyl-8-(pyrrolidi...)
Show SMILES Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H20BrNO3/c1-13-19(14-4-6-15(22)7-5-14)20(25)16-8-9-18(24)17(21(16)26-13)12-23-10-2-3-11-23/h4-9,24H,2-3,10-12H2,1H3
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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 (Human))
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 (Human))
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 (Human))
BDBM100005
PNG
(1-(9-methoxy-5H-pyrimid[5,4-b]indol-4-yl)isonipeco...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1cccc(OC)c21
Show InChI InChI=1S/C19H22N4O3/c1-3-26-19(24)12-7-9-23(10-8-12)18-17-16(20-11-21-18)15-13(22-17)5-4-6-14(15)25-2/h4-6,11-12,22H,3,7-10H2,1-2H3
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n/an/an/an/a 8.33E+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 (Human))
BDBM100006
PNG
(1-[bis(2-methoxyethyl)amino]-3-methyl-4-pyrido[1,2...)
Show SMILES COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C19H22N4O2/c1-14-12-18(22(8-10-24-2)9-11-25-3)23-17-7-5-4-6-16(17)21-19(23)15(14)13-20/h4-7,12H,8-11H2,1-3H3
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n/an/an/an/a 1.12E+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 (Human))
BDBM100007
PNG
(2,8,10-trimethyl-N-(2-morpholin-4-ylethyl)pyrido[2...)
Show SMILES Cc1cc(C)c2c(nn3c(NCCN4CCOCC4)cc(C)nc23)n1
Show InChI InChI=1S/C18H24N6O/c1-12-10-13(2)20-17-16(12)18-21-14(3)11-15(24(18)22-17)19-4-5-23-6-8-25-9-7-23/h10-11,19H,4-9H2,1-3H3
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n/an/an/an/a 3.48E+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 (Human))
BDBM51528
PNG
(2-amino-1-(2-piperidinoethyl)pyrrolo[3,2-b]quinoxa...)
Show SMILES CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-2-27-20(26)16-17-19(23-15-9-5-4-8-14(15)22-17)25(18(16)21)13-12-24-10-6-3-7-11-24/h4-5,8-9H,2-3,6-7,10-13,21H2,1H3
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n/an/an/an/a 3.62E+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 (Human))
BDBM100008
PNG
(2-amino-3,5-dichloro-benzoic acid [2-keto-2-[(2-ke...)
Show SMILES COC(=O)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
Show InChI InChI=1S/C12H12Cl2N2O5/c1-20-10(18)4-16-9(17)5-21-12(19)7-2-6(13)3-8(14)11(7)15/h2-3H,4-5,15H2,1H3,(H,16,17)
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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 (Human))
BDBM67420
PNG
(1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone | ...)
Show SMILES CC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:10|
Show InChI InChI=1S/C17H17N3O/c1-12(21)19-8-10-20(11-9-19)17-14-6-2-4-13-5-3-7-15(18-17)16(13)14/h2-7H,8-11H2,1H3
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n/an/an/an/a 3.67E+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 (Human))
BDBM100009
PNG
(3-methyl-1-[2-(2H-1,2,3,4-tetrazol-5-yl)ethyl]-4,6...)
Show SMILES Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N7/c1-5-9-6(11(13,14)15)4-7(12(16,17)18)19-10(9)25(22-5)3-2-8-20-23-24-21-8/h4H,2-3H2,1H3,(H,20,21,23,24)
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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 (Human))
BDBM100010
PNG
((2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-methoxy...)
Show SMILES COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1
Show InChI InChI=1S/C18H19NO5/c1-22-16-11-14-5-3-2-4-13(14)10-15(16)18(21)24-12-17(20)19-6-8-23-9-7-19/h2-5,10-11H,6-9,12H2,1H3
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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 (Human))
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 (Human))
BDBM100012
PNG
(1'-(ethoxycarbonyl)-1-methyl-9-oxo-8,9-dihydro...)
Show SMILES CCOC(=O)N1CCC2(CC1)CC(=O)c1c(O2)ccc2oc(C(O)=O)c(C)c12
Show InChI InChI=1S/C20H21NO7/c1-3-26-19(25)21-8-6-20(7-9-21)10-12(22)16-14(28-20)5-4-13-15(16)11(2)17(27-13)18(23)24/h4-5H,3,6-10H2,1-2H3,(H,23,24)
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n/an/an/an/a 9.75E+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 (Human))
BDBM100013
PNG
(6-(4-morpholinyl)-3-[3-(1-piperidinyl)propyl]-2-su...)
Show SMILES O=c1n(CCCN2CCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
Show InChI InChI=1S/C20H28N4O2S/c25-19-17-15-16(23-11-13-26-14-12-23)5-6-18(17)21-20(27)24(19)10-4-9-22-7-2-1-3-8-22/h5-6,15H,1-4,7-14H2,(H,21,27)
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n/an/an/an/a 2.97E+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 (Human))
BDBM100014
PNG
(4-(3-cyano-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydr...)
Show SMILES COC(=O)c1ccc(cc1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:16,18|
Show InChI InChI=1S/C21H22N2O3/c1-12-15(11-22)18(13-5-7-14(8-6-13)20(25)26-4)19-16(23-12)9-21(2,3)10-17(19)24/h5-8,15,18H,9-10H2,1-4H3
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n/an/an/an/a 2.08E+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 (Human))
BDBM100015
PNG
((4-methylpiperazino)-(2-p-phenetyl-4-quinolyl)meth...)
Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1
Show InChI InChI=1S/C23H25N3O2/c1-3-28-18-10-8-17(9-11-18)22-16-20(19-6-4-5-7-21(19)24-22)23(27)26-14-12-25(2)13-15-26/h4-11,16H,3,12-15H2,1-2H3
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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 (Human))
BDBM100016
PNG
(3-[3-keto-4-(2-piperidinoethyl)-[1,2,4]triazino[2,...)
Show SMILES OC(=O)CCc1nn2c3ccccc3nc2n(CCN2CCCCC2)c1=O
Show InChI InChI=1S/C19H23N5O3/c25-17(26)9-8-15-18(27)23(13-12-22-10-4-1-5-11-22)19-20-14-6-2-3-7-16(14)24(19)21-15/h2-3,6-7H,1,4-5,8-13H2,(H,25,26)
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n/an/an/an/a 3.48E+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 (Human))
BDBM42369
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-N-(2-morpholi...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
Show InChI InChI=1S/C24H32N6O4/c1-3-33-13-5-9-29-20(25)18(23(31)26-7-10-28-11-14-34-15-12-28)16-19-22(29)27-21-17(2)6-4-8-30(21)24(19)32/h4,6,8,16,25H,3,5,7,9-15H2,1-2H3,(H,26,31)
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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 (Human))
BDBM100017
PNG
(3-O-ethyl 8-O-methyl 4-(furan-2-ylmethylamino)quin...)
Show SMILES CCOC(=O)c1cnc2c(cccc2c1NCc1ccco1)C(=O)OC
Show InChI InChI=1S/C19H18N2O5/c1-3-25-19(23)15-11-21-16-13(7-4-8-14(16)18(22)24-2)17(15)20-10-12-6-5-9-26-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)
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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 (Human))
BDBM100018
PNG
(1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)sulfonylis...)
Show SMILES CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cn2cccnc2n1
Show InChI InChI=1S/C20H22N4O4S/c1-2-28-19(25)15-7-11-24(12-8-15)29(26,27)17-6-3-5-16(13-17)18-14-23-10-4-9-21-20(23)22-18/h3-6,9-10,13-15H,2,7-8,11-12H2,1H3
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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 (Human))
BDBM100019
PNG
(4-[[3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]t...)
Show SMILES CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccnc2)c1C#N
Show InChI InChI=1S/C18H17N3O3S/c1-3-24-17(23)8-14(22)11-25-18-16(9-19)15(7-12(2)21-18)13-5-4-6-20-10-13/h4-7,10H,3,8,11H2,1-2H3
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n/an/an/an/a 8.07E+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 (Human))
BDBM100020
PNG
(5-(1,3-dimethyl-4-pyrazolyl)-7-(trifluoromethyl)-3...)
Show SMILES CCOC(=O)c1cnn2c(cc(nc12)-c1cn(C)nc1C)C(F)(F)F
Show InChI InChI=1S/C15H14F3N5O2/c1-4-25-14(24)9-6-19-23-12(15(16,17)18)5-11(20-13(9)23)10-7-22(3)21-8(10)2/h5-7H,4H2,1-3H3
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n/an/an/an/a 3.32E+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 (Human))
BDBM100021
PNG
(MLS000116805 | SMR000093764 | cid_5308363)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc3ccsc3c(=O)n2c1
Show InChI InChI=1S/C18H18N4O4S/c1-2-26-18(25)21-8-6-20(7-9-21)16(23)12-3-4-14-19-13-5-10-27-15(13)17(24)22(14)11-12/h3-5,10-11H,2,6-9H2,1H3
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n/an/an/an/a 1.06E+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 (Human))
BDBM100022
PNG
(MLS000101497 | SMR000016153 | cid_4433439)
Show SMILES Cc1cccn2c1nc1sc(cc1c2=O)C(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C16H15N3O4S2/c1-9-3-2-5-19-13(9)18-15-11(16(19)21)7-12(24-15)14(20)17-10-4-6-25(22,23)8-10/h2-3,5,7,10H,4,6,8H2,1H3,(H,17,20)
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n/an/an/an/a 2.51E+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 (Human))
BDBM100023
PNG
(7-(2-methoxyphenyl)-5-phenyl-1,7-dihydro-[1,2,3,4]...)
Show SMILES COc1ccccc1C1CC(=Nc2nnnn12)c1ccccc1 |c:11|
Show InChI InChI=1S/C17H15N5O/c1-23-16-10-6-5-9-13(16)15-11-14(12-7-3-2-4-8-12)18-17-19-20-21-22(15)17/h2-10,15H,11H2,1H3
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n/an/an/an/a 1.21E+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 (Human))
BDBM100024
PNG
(MLS000113735 | N-(2-thiophen-2-yl-3H-benzimidazol-...)
Show SMILES CC(=O)Nc1ccc2nc([nH]c2c1)-c1cccs1
Show InChI InChI=1S/C13H11N3OS/c1-8(17)14-9-4-5-10-11(7-9)16-13(15-10)12-3-2-6-18-12/h2-7H,1H3,(H,14,17)(H,15,16)
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n/an/an/an/a 8.78E+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 (Human))
BDBM51592
PNG
(2,7,7-trimethyl-5-oxidanylidene-4-pyridin-3-yl-1,4...)
Show SMILES CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CC(C)(C)C2 |c:3,t:1|
Show InChI InChI=1S/C18H19N3O/c1-11-13(9-19)16(12-5-4-6-20-10-12)17-14(21-11)7-18(2,3)8-15(17)22/h4-6,10,13,16H,7-8H2,1-3H3
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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 (Human))
BDBM100025
PNG
(3-(2-furanylmethyl)-2-phenyl-1,2-dihydroquinazolin...)
Show SMILES O=C1N(Cc2ccco2)C(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-19-16-10-4-5-11-17(16)20-18(14-7-2-1-3-8-14)21(19)13-15-9-6-12-23-15/h1-12,18,20H,13H2
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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 (Human))
BDBM100026
PNG
(1-(2-oxolanylmethyl)-4-(3-thiophenyl)-4H-pyridine-...)
Show SMILES COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccsc1)C(=O)OC |c:14,t:4|
Show InChI InChI=1S/C18H21NO5S/c1-22-17(20)14-9-19(8-13-4-3-6-24-13)10-15(18(21)23-2)16(14)12-5-7-25-11-12/h5,7,9-11,13,16H,3-4,6,8H2,1-2H3
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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 (Human))
BDBM100027
PNG
(MLS000111994 | N-[4-(3-cyclohexyl-4-keto-1,2-dihyd...)
Show SMILES CC(=O)Nc1ccc(cc1)C1Nc2ccccc2C(=O)N1C1CCCCC1
Show InChI InChI=1S/C22H25N3O2/c1-15(26)23-17-13-11-16(12-14-17)21-24-20-10-6-5-9-19(20)22(27)25(21)18-7-3-2-4-8-18/h5-6,9-14,18,21,24H,2-4,7-8H2,1H3,(H,23,26)
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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 (Human))
BDBM100028
PNG
(7-hydroxy-8-(4-morpholinylmethyl)-3-phenyl-1-benzo...)
Show SMILES Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN1CCOCC1
Show InChI InChI=1S/C20H19NO4/c22-18-7-6-15-19(23)17(14-4-2-1-3-5-14)13-25-20(15)16(18)12-21-8-10-24-11-9-21/h1-7,13,22H,8-12H2
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n/an/an/an/a 1.24E+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 (Human))
BDBM100029
PNG
(4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)sulfonylmorp...)
Show SMILES O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C17H17N3O3S/c21-24(22,20-9-11-23-12-10-20)15-6-4-14(5-7-15)16-13-19-8-2-1-3-17(19)18-16/h1-8,13H,9-12H2
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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 (Human))
BDBM100030
PNG
(4-(4-carbomethoxyphenyl)-1,4-dihydropyridine-3,5-d...)
Show SMILES COC(=O)C1C=NC=C(C1c1ccc(cc1)C(=O)OC)C(=O)OC |c:5,7|
Show InChI InChI=1S/C17H17NO6/c1-22-15(19)11-6-4-10(5-7-11)14-12(16(20)23-2)8-18-9-13(14)17(21)24-3/h4-9,12,14H,1-3H3
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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 (Human))
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 (Human))
BDBM100031
PNG
(MLS000527663 | N-(2,3-dimethyl-6-quinoxalinyl)-1-p...)
Show SMILES Cc1nc2ccc(NC(=O)N3CCCCC3)cc2nc1C
Show InChI InChI=1S/C16H20N4O/c1-11-12(2)18-15-10-13(6-7-14(15)17-11)19-16(21)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,21)
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n/an/an/an/a 5.48E+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 (Human))
BDBM87723
PNG
((8S,8aR)-6-amino-2-methyl-8-phenyl-1,6,8,8a-tetrah...)
Show SMILES CN1C[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|
Show InChI InChI=1S/C19H17N5/c1-24-8-7-14-15(9-20)18(23)19(11-21,12-22)17(16(14)10-24)13-5-3-2-4-6-13/h2-8,16-18H,10,23H2,1H3/t16-,17+,18?/m0/s1
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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 (Human))
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 (Human))
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 (Human))
BDBM100033
PNG
(2-(benzalamino)benzamide | 2-(benzylideneamino)ben...)
Show SMILES NC(=O)c1ccccc1\N=C\c1ccccc1
Show InChI InChI=1S/C14H12N2O/c15-14(17)12-8-4-5-9-13(12)16-10-11-6-2-1-3-7-11/h1-10H,(H2,15,17)/b16-10+
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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 (Human))
BDBM100034
PNG
(2-[(4-methylbenzylidene)amino]benzamide | 2-[(4-me...)
Show SMILES Cc1ccc(\C=N\c2ccccc2C(N)=O)cc1
Show InChI InChI=1S/C15H14N2O/c1-11-6-8-12(9-7-11)10-17-14-5-3-2-4-13(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
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