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PubChem AID 743259

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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 35.8n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM52423
PNG
(4-[(3-ethoxy-4-hydroxy-phenyl)-(3-keto-5-methyl-3-...)
Show SMILES CCOc1cc(ccc1O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
Show InChI InChI=1S/C17H20N4O4/c1-4-25-12-7-10(5-6-11(12)22)15(13-8(2)18-20-16(13)23)14-9(3)19-21-17(14)24/h5-7,15,22H,4H2,1-3H3,(H2,18,20,23)(H2,19,21,24)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114042
PNG
((4-Oxo-3-o-tolyl-3,4-dihydro-quinazolin-2-ylsulfan...)
Show SMILES Cc1ccccc1-n1c(SCC(=O)N\N=C\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O
Show InChI InChI=1S/C26H21N5O4S/c1-18-9-2-6-14-22(18)30-25(33)20-12-4-5-13-21(20)28-26(30)36-17-24(32)29-27-16-8-11-19-10-3-7-15-23(19)31(34)35/h2-16H,17H2,1H3,(H,29,32)/b11-8+,27-16+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114152
PNG
(MLS003512359 | N-phenylcarbamic acid [(2S)-2-(7-ke...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN([C@H](COC(=O)Nc2ccccc2)Cc2ccccc2)C(=O)CC1
Show InChI InChI=1S/C28H31N3O5S/c1-22-12-14-26(15-13-22)37(34,35)30-17-16-27(32)31(19-18-30)25(20-23-8-4-2-5-9-23)21-36-28(33)29-24-10-6-3-7-11-24/h2-15,25H,16-21H2,1H3,(H,29,33)/t25-/m0/s1
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n/an/a 7.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114151
PNG
((3R)-2-tert-butylsulfinyl-4-[3-(3-fluorophenyl)phe...)
Show SMILES CC(C)(C)S(=O)N1Cc2cc(nc(c2[C@H]1CCO)-c1cccc(c1)-c1cccc(F)c1)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2,3)39(38)35-15-20-14-22(26(37)33-16-28(30,31)32)34-25(24(20)23(35)10-11-36)19-8-4-6-17(12-19)18-7-5-9-21(29)13-18/h4-9,12-14,23,36H,10-11,15-16H2,1-3H3,(H,33,37)/t23-,39?/m1/s1
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n/an/a 7.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114124
PNG
(1-(4-methoxyphenyl)-3-[(2S,3R)-3-methyl-2-[[methyl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3O[C@H](CN(C)S(=O)(=O)c4cccs4)[C@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1
Show InChI InChI=1S/C28H34N4O7S2/c1-18-15-32(19(2)17-33)27(34)23-14-21(30-28(35)29-20-7-10-22(38-4)11-8-20)9-12-24(23)39-25(18)16-31(3)41(36,37)26-6-5-13-40-26/h5-14,18-19,25,33H,15-17H2,1-4H3,(H2,29,30,35)/t18-,19+,25-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114103
PNG
(MLS001123033 | SMR000628049 | [5-[(4-chlorobenzyl)...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2ccc(CS(=O)Cc3ccc(Cl)cc3)o2)c1C
Show InChI InChI=1S/C25H27ClN2O3S/c1-18-4-3-5-23(19(18)2)27-12-14-28(15-13-27)25(29)24-11-10-22(31-24)17-32(30)16-20-6-8-21(26)9-7-20/h3-11H,12-17H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM61048
PNG
(2-[(4-chlorobenzyl)-tosyl-amino]-N-(2-furfuryl)ben...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccco1
Show InChI InChI=1S/C26H23ClN2O4S/c1-19-8-14-23(15-9-19)34(31,32)29(18-20-10-12-21(27)13-11-20)25-7-3-2-6-24(25)26(30)28-17-22-5-4-16-33-22/h2-16H,17-18H2,1H3,(H,28,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114126
PNG
(4-[[1-(4-fluorophenyl)sulfonylnipecotoyl]amino]ben...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H23FN2O5S/c1-2-29-21(26)15-5-9-18(10-6-15)23-20(25)16-4-3-13-24(14-16)30(27,28)19-11-7-17(22)8-12-19/h5-12,16H,2-4,13-14H2,1H3,(H,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114173
PNG
((3R,4aR,5R,7S)-5-cyclopropyl-1-(1-naphthalenylmeth...)
Show SMILES COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@@H](O[C@@H]2C1CC1)C(C)C
Show InChI InChI=1S/C39H46N2O5/c1-26(2)33-23-34-39(38(44)45-3,36(46-33)29-19-20-29)24-31(22-35(42)40-21-10-9-14-27-12-5-4-6-13-27)37(43)41(34)25-30-17-11-16-28-15-7-8-18-32(28)30/h4-8,11-13,15-18,23,26,29,31,33,36H,9-10,14,19-22,24-25H2,1-3H3,(H,40,42)/t31-,33+,36+,39+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114029
PNG
(4,5-Dichloro-isothiazole-3-carboxylic acid (cyclop...)
Show SMILES COc1ccc(CN(C(C(=O)NC2CCCC2)c2ccc(C)cc2)C(=O)c2nsc(Cl)c2Cl)cc1
Show InChI InChI=1S/C26H27Cl2N3O3S/c1-16-7-11-18(12-8-16)23(25(32)29-19-5-3-4-6-19)31(15-17-9-13-20(34-2)14-10-17)26(33)22-21(27)24(28)35-30-22/h7-14,19,23H,3-6,15H2,1-2H3,(H,29,32)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114044
PNG
(MLS000697256 | N-[3-(9-fluorenylideneamino)oxy-2-h...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CCCO)CC(O)CON=C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C26H28N2O5S/c1-19-11-13-21(14-12-19)34(31,32)28(15-6-16-29)17-20(30)18-33-27-26-24-9-4-2-7-22(24)23-8-3-5-10-25(23)26/h2-5,7-14,20,29-30H,6,15-18H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114093
PNG
((1S,5R)-3-(1-benzothiophen-2-yl)-8-[oxo-[[4-(trifl...)
Show SMILES COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(cc1)C(F)(F)F)c1cc2ccccc2s1
Show InChI InChI=1S/C26H23F3N2O3S/c1-34-24(32)23-19(22-12-16-4-2-3-5-21(16)35-22)13-18-10-11-20(23)31(18)25(33)30-14-15-6-8-17(9-7-15)26(27,28)29/h2-9,12,18,20H,10-11,13-14H2,1H3,(H,30,33)/t18-,20+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114120
PNG
((1S,5R)-3-(2-benzoxyphenyl)-8-[(4-chlorobenzyl)car...)
Show SMILES COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C30H29ClN2O4/c1-36-29(34)28-25(24-9-5-6-10-27(24)37-19-21-7-3-2-4-8-21)17-23-15-16-26(28)33(23)30(35)32-18-20-11-13-22(31)14-12-20/h2-14,23,26H,15-19H2,1H3,(H,32,35)/t23-,26+/m0/s1
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114070
PNG
(2-(4-tert-butylphenyl)-N-(3-pyridinylmethyl)-4-qui...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(NCc2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C24H24N4/c1-24(2,3)19-12-10-18(11-13-19)22-27-21-9-5-4-8-20(21)23(28-22)26-16-17-7-6-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,27,28)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114057
PNG
(1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(6-fluora...)
Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C19H16ClFN4O5S2/c20-14-3-2-13(25(27)28)10-17(14)32(29,30)24-7-5-11(6-8-24)18(26)23-19-22-15-4-1-12(21)9-16(15)31-19/h1-4,9-11H,5-8H2,(H,22,23,26)
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114051
PNG
(2-[(2,6-dichlorophenyl)sulfonylamino]-3-methyl-but...)
Show SMILES CC(C)C(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OCC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C21H20Cl2N2O5S/c1-12(2)19(25-31(28,29)20-15(22)7-5-8-16(20)23)21(27)30-11-18(26)14-10-24-17-9-4-3-6-13(14)17/h3-10,12,19,24-25H,11H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM70806
PNG
(10-Furan-2-ylmethyl-12-phenyl-10,12-dihydro-7-oxa-...)
Show SMILES N=c1c2C(c3ccccc3)c3c(Oc2ncn1Cc1ccco1)ccc1ccccc31
Show InChI InChI=1S/C26H19N3O2/c27-25-24-22(18-8-2-1-3-9-18)23-20-11-5-4-7-17(20)12-13-21(23)31-26(24)28-16-29(25)15-19-10-6-14-30-19/h1-14,16,22,27H,15H2
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114001
PNG
(4-ethoxy-N-(4-fluorophenyl)-2,3-dimethyl-benzenesu...)
Show SMILES CCOc1ccc(c(C)c1C)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H18FNO3S/c1-4-21-15-9-10-16(12(3)11(15)2)22(19,20)18-14-7-5-13(17)6-8-14/h5-10,18H,4H2,1-3H3
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n/an/a 7.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM82783
PNG
(3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid [...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(=O)OC(C)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C27H28N2O7S/c1-4-29(22-8-6-5-7-9-22)37(32,33)25-16-20(11-10-18(25)2)27(31)36-19(3)26(30)28-21-12-13-23-24(17-21)35-15-14-34-23/h5-13,16-17,19H,4,14-15H2,1-3H3,(H,28,30)
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n/an/a 7.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114074
PNG
(4-chloro-3-[(4-methylphenyl)amino]-5-oxo-2,5-dihyd...)
Show SMILES Cc1ccc(NC2=C(OC(=O)c3ccc(C)cc3)OC(=O)C2Cl)cc1
Show InChI InChI=1S/C19H16ClNO4/c1-11-3-7-13(8-4-11)17(22)24-19-16(15(20)18(23)25-19)21-14-9-5-12(2)6-10-14/h3-10,15,21H,1-2H3
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n/an/a 7.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114129
PNG
(6-(3-fluorobenzyl)-1,1-diketo-3-(2-naphthyl)-2,3-d...)
Show SMILES CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)NC1c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21FN2O4S/c1-2-30-23(27)21-15-26(14-16-6-5-9-20(24)12-16)31(28,29)25-22(21)19-11-10-17-7-3-4-8-18(17)13-19/h3-13,15,22,25H,2,14H2,1H3
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n/an/a 7.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50035
PNG
(5-[(3-chloranylphenoxy)methyl]-N-[4-(dimethylamino...)
Show SMILES CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1
Show InChI InChI=1S/C20H19ClN2O3/c1-23(2)16-8-6-15(7-9-16)22-20(24)19-11-10-18(26-19)13-25-17-5-3-4-14(21)12-17/h3-12H,13H2,1-2H3,(H,22,24)
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n/an/a 8.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114109
PNG
(MLS001156714 | N-(2-methyl-5-piperidin-1-ylsulfony...)
Show SMILES Cc1ccc(cc1NC(=O)CNc1ccc(cc1)C(F)(F)F)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H24F3N3O3S/c1-15-5-10-18(31(29,30)27-11-3-2-4-12-27)13-19(15)26-20(28)14-25-17-8-6-16(7-9-17)21(22,23)24/h5-10,13,25H,2-4,11-12,14H2,1H3,(H,26,28)
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n/an/a 8.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM88044
PNG
(5-[3-(2,4-dichlorobenzyl)oxy-2-thienyl]-1,2-dihydr...)
Show SMILES Clc1ccc(COc2ccsc2-c2n[nH]c(=S)[nH]2)c(Cl)c1
Show InChI InChI=1S/C13H7Cl2N3OS2/c14-8-2-1-7(9(15)5-8)6-19-10-3-4-21-11(10)12-16-13(20)18-17-12/h1-5H,6H2
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n/an/a 9.05E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114154
PNG
(MLS003591820 | SMR002253116 | [(2S)-1-[(4S)-2-[(2R...)
Show SMILES CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(ccc2S1(=O)=O)N1CCC[C@H]1CO
Show InChI InChI=1S/C28H40N2O5S/c1-3-4-6-10-22(2)30-18-26(21-34-20-23-11-7-5-8-12-23)35-27-17-24(14-15-28(27)36(30,32)33)29-16-9-13-25(29)19-31/h5,7-8,11-12,14-15,17,22,25-26,31H,3-4,6,9-10,13,16,18-21H2,1-2H3/t22-,25+,26+/m1/s1
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n/an/a 9.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114157
PNG
(2-amino-5-(4-bromobenzoyl)-4-(4-chloro-2-nitro-phe...)
Show SMILES Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(c1C(=O)NCCc1c[nH]c2ccccc12)-c1ccc(Cl)cc1[N+]([O-])=O
Show InChI InChI=1S/C28H21BrClN5O4/c29-17-7-5-15(6-8-17)26(36)25-23(20-10-9-18(30)13-22(20)35(38)39)24(27(31)34-25)28(37)32-12-11-16-14-33-21-4-2-1-3-19(16)21/h1-10,13-14,33-34H,11-12,31H2,(H,32,37)
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n/an/a 9.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114023
PNG
((2,5-dioxo-1-phenylpyrrolidin-3-yl) N'-[(E)-1-thio...)
Show SMILES CC(=NNC(=N)Sc1cc(O)n(c1O)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C17H16N4O2S2/c1-11(13-8-5-9-24-13)19-20-17(18)25-14-10-15(22)21(16(14)23)12-6-3-2-4-7-12/h2-10,22-23H,1H3,(H2,18,20)
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n/an/a 9.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114037
PNG
(2-[Benzyl-(2-1H-indol-3-yl-acetyl)-amino]-N-cycloh...)
Show SMILES Cc1ccc(o1)C(N(Cc1ccccc1)C(=O)Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C30H33N3O3/c1-21-16-17-27(36-21)29(30(35)32-24-12-6-3-7-13-24)33(20-22-10-4-2-5-11-22)28(34)18-23-19-31-26-15-9-8-14-25(23)26/h2,4-5,8-11,14-17,19,24,29,31H,3,6-7,12-13,18,20H2,1H3,(H,32,35)
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM77289
PNG
(MLS000536836 | N-(3,4-dichlorophenyl)-2-(4-methyl-...)
Show SMILES Cc1cc(Oc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C19H15Cl2N3O2S/c1-12-9-18(26-14-5-3-2-4-6-14)24-19(22-12)27-11-17(25)23-13-7-8-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,23,25)
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114110
PNG
(3-methyl-5-[[1-oxo-2-(7,7,9-trimethyl-2,4-dioxo-1,...)
Show SMILES CCOC(=O)c1sc(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)cc1C
Show InChI InChI=1S/C21H29N3O5S/c1-6-29-17(26)16-13(3)7-15(30-16)22-14(25)10-24-18(27)21(23-19(24)28)9-12(2)8-20(4,5)11-21/h7,12H,6,8-11H2,1-5H3,(H,22,25)(H,23,28)
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50239
PNG
(2-[(4-bromophenyl)-[5-keto-3-methyl-1-(5-phenylthi...)
Show SMILES Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Br)cc1
Show InChI InChI=1S/C23H16BrN5OS/c1-14-20(21(17(11-25)12-26)16-7-9-18(24)10-8-16)22(30)29(28-14)23-27-13-19(31-23)15-5-3-2-4-6-15/h2-10,13,17,21,28H,1H3
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM51989
PNG
(3-[3-(2,4-dichlorobenzyl)oxy-2-thienyl]-4-methyl-1...)
Show SMILES Cn1c(n[nH]c1=S)-c1sccc1OCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C14H11Cl2N3OS2/c1-19-13(17-18-14(19)21)12-11(4-5-22-12)20-7-8-2-3-9(15)6-10(8)16/h2-6H,7H2,1H3,(H,18,21)
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM88241
PNG
(MLS001060650 | N-(7-chloranyl-8-oxidanyl-quinolin-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)c(O)c2ncccc12
Show InChI InChI=1S/C16H13ClN2O3S/c1-10-4-6-11(7-5-10)23(21,22)19-14-9-13(17)16(20)15-12(14)3-2-8-18-15/h2-9,19-20H,1H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114082
PNG
((2S,3S,4R)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-...)
Show SMILES CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c1csc2ccccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C25H27NO4S/c1-2-29-25-19(12-8-14-27)20(21-16-31-23-13-7-6-11-18(21)23)15-22(30-25)24(28)26-17-9-4-3-5-10-17/h3-7,9-11,13,15-16,19-20,25,27H,2,8,12,14H2,1H3,(H,26,28)/t19-,20+,25-/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114114
PNG
(MLS002180418 | N-[4-chloranyl-3-(diethylsulfamoyl)...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)ccc1Cl
Show InChI InChI=1S/C20H26ClN3O6S3/c1-3-23(4-2)32(26,27)18-13-15(5-7-17(18)21)22-19(25)14-16-6-8-20(31-16)33(28,29)24-9-11-30-12-10-24/h5-8,13H,3-4,9-12,14H2,1-2H3,(H,22,25)
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM38971
PNG
(1-(2,3-dimethylphenyl)-4-(5-{[(2-methylphenyl)sulf...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)c1C
Show InChI InChI=1S/C25H28N2O4S/c1-18-8-6-9-22(20(18)3)26-13-15-27(16-14-26)25(28)23-12-11-21(31-23)17-32(29,30)24-10-5-4-7-19(24)2/h4-12H,13-17H2,1-3H3
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n/an/a 1.17E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114085
PNG
(4-methoxy-N-(4-phenylazanylphenyl)benzenesulfonami...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C19H18N2O3S/c1-24-18-11-13-19(14-12-18)25(22,23)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-14,20-21H,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114142
PNG
((3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl...)
Show SMILES OC(c1nc(cs1)-c1cccc(c1)C(F)(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H10F5NOS/c18-12-5-4-10(7-13(12)19)15(24)16-23-14(8-25-16)9-2-1-3-11(6-9)17(20,21)22/h1-8,15,24H
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114121
PNG
((1S,5R)-3-(3-benzoxyphenyl)-8-[2-(4-methoxyphenoxy...)
Show SMILES COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C32H34N2O6/c1-37-25-12-14-26(15-13-25)39-18-17-33-32(36)34-24-11-16-29(34)30(31(35)38-2)28(20-24)23-9-6-10-27(19-23)40-21-22-7-4-3-5-8-22/h3-10,12-15,19,24,29H,11,16-18,20-21H2,1-2H3,(H,33,36)/t24-,29+/m0/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM79676
PNG
(2-[(5Z)-4-keto-5-[(1-methylpyrrol-2-yl)methylene]-...)
Show SMILES CCC(N1C(=S)S\C(=C/c2cccn2C)C1=O)C(O)=O
Show InChI InChI=1S/C13H14N2O3S2/c1-3-9(12(17)18)15-11(16)10(20-13(15)19)7-8-5-4-6-14(8)2/h4-7,9H,3H2,1-2H3,(H,17,18)/b10-7-
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n/an/a 1.25E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114131
PNG
(1-acetyl-5-bromo-N-butyl-2-methyl-N-(phenylmethyl)...)
Show SMILES CCCCN(Cc1ccccc1)S(=O)(=O)c1cc2N(C(C)Cc2cc1Br)C(C)=O
Show InChI InChI=1S/C22H27BrN2O3S/c1-4-5-11-24(15-18-9-7-6-8-10-18)29(27,28)22-14-21-19(13-20(22)23)12-16(2)25(21)17(3)26/h6-10,13-14,16H,4-5,11-12,15H2,1-3H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM53405
PNG
(4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihy...)
Show SMILES COc1ccc(cc1)C1CC(O)(Oc2c(C)ccc(C)c12)c1ccccc1
Show InChI InChI=1S/C24H24O3/c1-16-9-10-17(2)23-22(16)21(18-11-13-20(26-3)14-12-18)15-24(25,27-23)19-7-5-4-6-8-19/h4-14,21,25H,15H2,1-3H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM34807
PNG
((4E)-2,3-bis(oxidanyl)-4-[[(2-propan-2-ylimino-4-t...)
Show SMILES CC(C)N=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C17H17N3O3S2/c1-10(2)19-17-20(12(9-25-17)14-4-3-7-24-14)18-8-11-5-6-13(21)16(23)15(11)22/h3-10,21-23H,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114135
PNG
(2-[2-[(3-chlorophenyl)carbamoyloxy]ethoxy]ethyl N-...)
Show SMILES Clc1cccc(NC(=O)OCCOCCOC(=O)Nc2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H18Cl2N2O5/c19-13-3-1-5-15(11-13)21-17(23)26-9-7-25-8-10-27-18(24)22-16-6-2-4-14(20)12-16/h1-6,11-12H,7-10H2,(H,21,23)(H,22,24)
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n/an/a 1.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114112
PNG
(2,2-dichloro-1-methyl-1-cyclopropanecarboxylic aci...)
Show SMILES COc1ccc(OC)c(c1)-c1csc(NC(=O)COC(=O)C2(C)CC2(Cl)Cl)n1
Show InChI InChI=1S/C18H18Cl2N2O5S/c1-17(9-18(17,19)20)15(24)27-7-14(23)22-16-21-12(8-28-16)11-6-10(25-2)4-5-13(11)26-3/h4-6,8H,7,9H2,1-3H3,(H,21,22,23)
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n/an/a 1.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113998
PNG
((4,6-Bis-isopropylamino-[1,3,5]triazin-2-yl)-[2-(2...)
Show SMILES CC(C)Nc1nc(NC(C)C)nc(n1)N(CCOc1ccc(Cl)cc1Cl)C#N
Show InChI InChI=1S/C18H23Cl2N7O/c1-11(2)22-16-24-17(23-12(3)4)26-18(25-16)27(10-21)7-8-28-15-6-5-13(19)9-14(15)20/h5-6,9,11-12H,7-8H2,1-4H3,(H2,22,23,24,25,26)
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n/an/a 1.35E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114098
PNG
(4-[(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]h...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\[NH+]=N\C=C\[CH-]c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H13N4O4S/c16-24(22,23)14-9-7-13(8-10-14)18-17-11-3-5-12-4-1-2-6-15(12)19(20)21/h1-11H,(H2,16,22,23)/q-1/p+1/b11-3+,18-17+
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n/an/a 1.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM67948
PNG
(3-cyclohexyl-4-[(E)-[(E)-3-phenylprop-2-enylidene]...)
Show SMILES S=c1[nH]nc(C2CCCCC2)n1N=CC=Cc1ccccc1
Show InChI InChI=1S/C17H20N4S/c22-17-20-19-16(15-11-5-2-6-12-15)21(17)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,13,15H,2,5-6,11-12H2,(H,20,22)/b10-7+,18-13+
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n/an/a 1.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM114125
PNG
(1-(1,3-benzodioxol-5-yl)-3-[(2R,3S)-3-methyl-2-[[m...)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Nc3ccc4OCOc4c3)cc2CC1=O
Show InChI InChI=1S/C29H34N4O8S2/c1-18-14-33(19(2)16-34)27(35)12-20-11-21(30-29(36)31-22-7-9-24-25(13-22)40-17-39-24)6-8-23(20)41-26(18)15-32(3)43(37,38)28-5-4-10-42-28/h4-11,13,18-19,26,34H,12,14-17H2,1-3H3,(H2,30,31,36)/t18-,19+,26-/m0/s1
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n/an/a 1.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%