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Compile Data Set for Download or QSAR

Found 248 hits of ec50 data for polymerid = 50000359   
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)
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)
BDBM75191
PNG
(2-[7-hydroxy-2-keto-4-methyl-8-[(veratrylamino)met...)
Show SMILES COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O
Show InChI InChI=1S/C23H25NO7/c1-13-15-6-7-18(25)17(22(15)31-23(27)16(13)10-21(26)30-4)12-24-11-14-5-8-19(28-2)20(9-14)29-3/h5-9,24-25H,10-12H2,1-4H3
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n/an/an/an/a>858n/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)
BDBM100095
PNG
(2-Oxo-1,2-dihydro-benzo[cd]indole-6-sulfonic acid ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Show InChI InChI=1S/C15H17N3O3S/c1-18(2)9-8-16-22(20,21)13-7-6-12-14-10(13)4-3-5-11(14)15(19)17-12/h3-7,16H,8-9H2,1-2H3,(H,17,19)
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n/an/an/an/a 1.84E+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)
BDBM100052
PNG
((Z)-3-(1,3-benzothiazol-2-yl)-N-(4-chlorobenzyl)-4...)
Show SMILES COc1ccc(\C=C(\CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C25H21ClN2O2S/c1-30-21-12-8-17(9-13-21)14-19(25-28-22-4-2-3-5-23(22)31-25)15-24(29)27-16-18-6-10-20(26)11-7-18/h2-14H,15-16H2,1H3,(H,27,29)/b19-14-
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n/an/an/an/a 2.56E+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)
BDBM100194
PNG
(3-(3,4-dimethylphenyl)-N-[(2-methoxy-1-naphthaleny...)
Show SMILES COc1ccc2ccccc2c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(C)c(C)c1
Show InChI InChI=1S/C24H22N4O2/c1-15-8-9-18(12-16(15)2)21-13-22(27-26-21)24(29)28-25-14-20-19-7-5-4-6-17(19)10-11-23(20)30-3/h4-14H,1-3H3,(H,26,27)(H,28,29)
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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)
BDBM100179
PNG
(1-[2-(2-Hydroxy-ethoxy)-ethylamino]-3-propyl-benzo...)
Show SMILES CCCc1cc(NCCOCCO)n2c3ccccc3nc2c1C#N
Show InChI InChI=1S/C19H22N4O2/c1-2-5-14-12-18(21-8-10-25-11-9-24)23-17-7-4-3-6-16(17)22-19(23)15(14)13-20/h3-4,6-7,12,21,24H,2,5,8-11H2,1H3
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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)
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)
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)
BDBM100103
PNG
(3-(4-methoxyphenyl)-8-[(2-methylpiperidin-1-yl)met...)
Show SMILES COc1ccc(cc1)-c1coc2c(CN3CCCCC3C)c(O)ccc2c1=O
Show InChI InChI=1S/C23H25NO4/c1-15-5-3-4-12-24(15)13-19-21(25)11-10-18-22(26)20(14-28-23(18)19)16-6-8-17(27-2)9-7-16/h6-11,14-15,25H,3-5,12-13H2,1-2H3
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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)
BDBM100127
PNG
(MLS001162224 | SMR000670895 | cid_4989776)
Show SMILES Cc1cccn2c1nc1n(C)c(cc1c2=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H18N4O3/c1-11-4-3-5-21-14(11)18-15-12(16(21)22)10-13(19(15)2)17(23)20-6-8-24-9-7-20/h3-5,10H,6-9H2,1-2H3
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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)
BDBM100049
PNG
(3-(3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl prop...)
Show SMILES CCCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O
Show InChI InChI=1S/C21H20O6/c1-4-7-24-21(23)27-15-5-6-17-18(11-15)25-12-19(20(17)22)26-16-9-13(2)8-14(3)10-16/h5-6,8-12H,4,7H2,1-3H3
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n/an/an/an/a 3.19E+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)
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)
BDBM100100
PNG
(3-Methyl-1-methylamino-benzo[4,5]imidazo[1,2-a]pyr...)
Show SMILES CNc1cc(C)c(C#N)c2nc3ccccc3n12
Show InChI InChI=1S/C14H12N4/c1-9-7-13(16-2)18-12-6-4-3-5-11(12)17-14(18)10(9)8-15/h3-7,16H,1-2H3
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n/an/an/an/a 3.77E+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)
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)
BDBM51482
PNG
(5-cyano-6-[[2-(ethoxycarbonylamino)-2-oxoethyl]thi...)
Show SMILES CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C
Show InChI InChI=1S/C21H22N4O5S/c1-4-9-30-20(27)17-13(3)24-19(31-12-16(26)25-21(28)29-5-2)15(10-22)18(17)14-7-6-8-23-11-14/h4,6-8,11,15,18H,1,5,9,12H2,2-3H3,(H,25,26,28)
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n/an/an/an/a 4.56E+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)
BDBM100118
PNG
(2-(2-keto-3-phenyl-chromen-7-yl)oxypropionic acid ...)
Show SMILES COC(=O)C(C)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H16O5/c1-12(18(20)22-2)23-15-9-8-14-10-16(13-6-4-3-5-7-13)19(21)24-17(14)11-15/h3-12H,1-2H3
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n/an/an/an/a 5.16E+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)
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)
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)
BDBM100070
PNG
(7-(diethylamino)-3-(hydroxymethyl)-4-methyl-1-benz...)
Show SMILES CCN(CC)c1ccc2c(C)c(CO)c(=O)oc2c1
Show InChI InChI=1S/C15H19NO3/c1-4-16(5-2)11-6-7-12-10(3)13(9-17)15(18)19-14(12)8-11/h6-8,17H,4-5,9H2,1-3H3
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n/an/an/an/a 6.34E+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)
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)
BDBM50549
PNG
(2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid ...)
Show SMILES CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
Show InChI InChI=1S/C22H22N2O6S/c1-14-7-8-20(30-14)19-11-17(16-5-3-4-6-18(16)23-19)22(26)29-12-21(25)24(2)15-9-10-31(27,28)13-15/h3-8,11,15H,9-10,12-13H2,1-2H3
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n/an/an/an/a 6.97E+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

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PubChem Bioassay (2013)


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


(Homo sapiens)
BDBM100162
PNG
(3-[(3R,4S)-4-ethyl-5-(4-fluorophenyl)-2-phenyl-2-p...)
Show SMILES CC[C@H]1[C@@H](N(N=C1c1ccc(F)cc1)c1ccccc1)C(=O)N1CCOC1=O
Show InChI InChI=1S/C21H20FN3O3/c1-2-17-18(14-8-10-15(22)11-9-14)23-25(16-6-4-3-5-7-16)19(17)20(26)24-12-13-28-21(24)27/h3-11,17,19H,2,12-13H2,1H3/t17-,19-/m1/s1
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n/an/an/an/a 7.45E+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)
BDBM100143
PNG
(MLS001035725 | N-[4-[2-(2-methoxyphenyl)ethanoylam...)
Show SMILES COc1ccccc1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1
Show InChI InChI=1S/C20H18N2O3S/c1-25-17-6-3-2-5-14(17)13-19(23)21-15-8-10-16(11-9-15)22-20(24)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
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n/an/an/an/a 7.57E+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)
BDBM82911
PNG
(2-(2-furanyl)-6-(2-propan-2-yloxyethoxy)-1-benzopy...)
Show SMILES CC(C)OCCOc1ccc2oc(cc(=O)c2c1)-c1ccco1
Show InChI InChI=1S/C18H18O5/c1-12(2)20-8-9-21-13-5-6-16-14(10-13)15(19)11-18(23-16)17-4-3-7-22-17/h3-7,10-12H,8-9H2,1-2H3
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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)
BDBM100182
PNG
(1-[2-methyl-1-(2-methylprop-2-enyl)-3-oxidanyliden...)
Show SMILES CC(=C)Cn1n(C)c(=O)c2cc(NC(=O)NCCc3cccs3)ccc12
Show InChI InChI=1S/C19H22N4O2S/c1-13(2)12-23-17-7-6-14(11-16(17)18(24)22(23)3)21-19(25)20-9-8-15-5-4-10-26-15/h4-7,10-11H,1,8-9,12H2,2-3H3,(H2,20,21,25)
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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)
BDBM100077
PNG
(2-amino-5-chloro-benzoic acid [2-[(1,1-diketothiol...)
Show SMILES Nc1ccc(Cl)cc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1
Show InChI InChI=1S/C13H15ClN2O5S/c14-8-1-2-11(15)10(5-8)13(18)21-6-12(17)16-9-3-4-22(19,20)7-9/h1-2,5,9H,3-4,6-7,15H2,(H,16,17)
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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)
BDBM100116
PNG
(MLS001176569 | SMR000595898 | cid_4962774)
Show SMILES OC(=O)CCN1c2cccc3cccc(c23)S1(=O)=O
Show InChI InChI=1S/C13H11NO4S/c15-12(16)7-8-14-10-5-1-3-9-4-2-6-11(13(9)10)19(14,17)18/h1-6H,7-8H2,(H,15,16)
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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)
BDBM46572
PNG
((6E)-5-azanylidene-6-[(4-oxidanylidenechromen-3-yl...)
Show SMILES N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1
Show InChI InChI=1S/C20H11N5O3S/c21-17-14(9-12-10-28-15-4-2-1-3-13(15)16(12)26)18(27)23-20-25(17)24-19(29-20)11-5-7-22-8-6-11/h1-10,21H/b14-9+,21-17?
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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)
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)
BDBM50016479
PNG
((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)
Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
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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)
BDBM100058
PNG
(MLS000718244 | N-cyclopentyl-2-(4-fluorophenyl)-3-...)
Show SMILES Fc1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
Show InChI InChI=1S/C17H17FN4/c18-13-7-5-12(6-8-13)16-17(20-14-3-1-2-4-14)22-10-9-19-11-15(22)21-16/h5-11,14,20H,1-4H2
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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)
BDBM100146
PNG
(1-[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxyacet...)
Show SMILES CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(CC3)C(O)=O)c12
Show InChI InChI=1S/C22H27NO6/c1-3-4-5-16-12-20(25)29-18-11-14(2)10-17(21(16)18)28-13-19(24)23-8-6-15(7-9-23)22(26)27/h10-12,15H,3-9,13H2,1-2H3,(H,26,27)
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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)
BDBM100185
PNG
(MLS003124389 | SMR001285658 | [3-[6-(methylamino)-...)
Show SMILES CNc1ccc(cn1)-c1cccc(CO)c1
Show InChI InChI=1S/C13H14N2O/c1-14-13-6-5-12(8-15-13)11-4-2-3-10(7-11)9-16/h2-8,16H,9H2,1H3,(H,14,15)
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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)
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)
BDBM100164
PNG
(MLS002582724 | N-[3-cyano-1-(2-furanylmethyl)-10-m...)
Show SMILES Cc1cccn2c1nc1n(Cc3ccco3)\c(=N\C(=O)c3ccccc3)c(cc1c2=O)C#N
Show InChI InChI=1S/C25H17N5O3/c1-16-7-5-11-29-21(16)27-23-20(25(29)32)13-18(14-26)22(30(23)15-19-10-6-12-33-19)28-24(31)17-8-3-2-4-9-17/h2-13H,15H2,1H3/b28-22+
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n/an/an/an/a 7.95E+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)
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)
BDBM100191
PNG
(1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-thienyl)qui...)
Show SMILES CC(c1nc2ccccc2[nH]1)n1c2ccccc2nc(-c2cccs2)c1=O
Show InChI InChI=1S/C21H16N4OS/c1-13(20-23-14-7-2-3-8-15(14)24-20)25-17-10-5-4-9-16(17)22-19(21(25)26)18-11-6-12-27-18/h2-13H,1H3,(H,23,24)
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n/an/an/an/a 8.14E+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)
BDBM100186
PNG
((2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[5-(dimethyl...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H23N7O6S/c1-28(2)13-7-3-6-12-11(13)5-4-8-14(12)36(33,34)27-21(32)18-16(30)17(31)22(35-18)29-10-26-15-19(23)24-9-25-20(15)29/h3-10,16-18,22,30-31H,1-2H3,(H,27,32)(H2,23,24,25)/t16-,17+,18-,22+/m0/s1
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n/an/an/an/a 8.16E+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)
BDBM100087
PNG
((4S)-6-amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-...)
Show SMILES COC(=O)CC1=C(C([C-](C#N)C(=[NH2+])O1)c1ccccc1[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C17H14N3O7/c1-25-13(21)7-12-15(17(22)26-2)14(10(8-18)16(19)27-12)9-5-3-4-6-11(9)20(23)24/h3-6,14,19H,7H2,1-2H3/q-1/p+1
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n/an/an/an/a 8.20E+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)
BDBM100045
PNG
(6,7-dimethoxy-2-methyl-2,3-dihydro-1-benzothiopyra...)
Show SMILES COc1cc2SC(C)CC(=O)c2cc1OC
Show InChI InChI=1S/C12H14O3S/c1-7-4-9(13)8-5-10(14-2)11(15-3)6-12(8)16-7/h5-7H,4H2,1-3H3
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n/an/an/an/a 8.28E+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)
BDBM100129
PNG
(MLS001223360 | N-[4-[2-(2-chloranylphenoxy)ethanoy...)
Show SMILES COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1
Show InChI InChI=1S/C20H17ClN2O4S/c1-26-17-11-13(8-9-15(17)23-20(25)18-7-4-10-28-18)22-19(24)12-27-16-6-3-2-5-14(16)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
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n/an/an/an/a 8.31E+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)
BDBM100173
PNG
(2-ethyl-3-(2-ethylbutyl)-9,10-dimethoxy-1,3,4,6,7,...)
Show SMILES CCC(CC)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1(O)CC
Show InChI InChI=1S/C23H37NO3/c1-6-16(7-2)11-18-15-24-10-9-17-12-21(26-4)22(27-5)13-19(17)20(24)14-23(18,25)8-3/h12-13,16,18,20,25H,6-11,14-15H2,1-5H3
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n/an/an/an/a 8.32E+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)
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)
BDBM100172
PNG
(1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-keto-2,3...)
Show SMILES C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)NC1CCCCC1
Show InChI InChI=1S/C25H34N4O3/c1-15(30)22-20(28(2)25(32)26-16-8-4-3-5-9-16)14-21-23-18(12-13-29(21)24(22)31)17-10-6-7-11-19(17)27-23/h6-7,10-11,15-16,20-22,27,30H,3-5,8-9,12-14H2,1-2H3,(H,26,32)/t15-,20-,21-,22-/m0/s1
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n/an/an/an/a 8.40E+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)
BDBM100074
PNG
(MLS000419029 | N-(1,3-diketoisoindolin-5-yl)-4-pyr...)
Show SMILES O=C(Nc1ccc2C(=O)NC(=O)c2c1)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H17N3O5S/c23-17(20-13-5-8-15-16(11-13)19(25)21-18(15)24)12-3-6-14(7-4-12)28(26,27)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H,20,23)(H,21,24,25)
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n/an/an/an/a 8.55E+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)
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)
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)
BDBM100167
PNG
(MLS002694422 | N-(2-fluoranthenyl)acetamide | N-fl...)
Show SMILES CC(=O)Nc1cc2-c3ccccc3-c3cccc(c1)c23
Show InChI InChI=1S/C18H13NO/c1-11(20)19-13-9-12-5-4-8-16-14-6-2-3-7-15(14)17(10-13)18(12)16/h2-10H,1H3,(H,19,20)
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n/an/an/an/a 8.84E+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)
BDBM50241529
PNG
(7-hydroxy-6-methoxy-3-(4-methoxyphenyl)-4H-chromen...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O
Show InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
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n/an/an/an/a 9.00E+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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