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Compile Data Set for Download or QSAR

Found 483 hits of Enz. Inhib. data with enzyme = 'Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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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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/Q2930RT9
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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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))
BDBM113935
PNG
(1-(4-fluorophenyl)-3-[(2S,3R)-3-methyl-2-[[methyl-...)
Show SMILES C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O
Show InChI InChI=1S/C36H39FN4O5/c1-24-20-41(25(2)23-42)35(43)32-19-29(39-36(44)38-28-13-11-27(37)12-14-28)15-18-33(32)46-34(24)22-40(3)21-26-9-16-31(17-10-26)45-30-7-5-4-6-8-30/h4-19,24-25,34,42H,20-23H2,1-3H3,(H2,38,39,44)/t24-,25+,34-/m1/s1
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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/Q2930RT9
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

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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))
BDBM48862
PNG
(6-[(3,4-dichlorophenyl)(1-pyrrolidinyl)methyl]-1,3...)
Show SMILES Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H17Cl2NO3/c19-13-4-3-11(7-14(13)20)18(21-5-1-2-6-21)12-8-16-17(9-15(12)22)24-10-23-16/h3-4,7-9,18,22H,1-2,5-6,10H2
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n/an/a 4.72E+3n/an/an/an/an/an/a



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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113849
PNG
(4-methyl-N-(tosylmethyl)thiobenzamide | 4-methyl-N...)
Show SMILES Cc1ccc(cc1)C(=S)NCS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C16H17NO2S2/c1-12-3-7-14(8-4-12)16(20)17-11-21(18,19)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3,(H,17,20)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113928
PNG
((2S)-2-(4-fluorobenzyl)hex-5-enoic acid [(2S)-2-[[...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@@H](CCC=C)Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C40H46FN3O5/c1-3-5-14-32(23-29-17-19-34(41)20-18-29)40(48)49-28-35(24-33-26-42-37-16-10-9-15-36(33)37)43-39(47)31(11-4-2)25-38(46)44(21-22-45)27-30-12-7-6-8-13-30/h3-4,6-10,12-13,15-20,26,31-32,35,42,45H,1-2,5,11,14,21-25,27-28H2,(H,43,47)/t31-,32+,35+/m1/s1
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM53156
PNG
((5E)-5-[(5-bromanyl-1H-indol-3-yl)methylidene]-1-(...)
Show SMILES COc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1
Show InChI InChI=1S/C21H16BrN3O5/c1-29-13-4-6-17(18(9-13)30-2)25-20(27)15(19(26)24-21(25)28)7-11-10-23-16-5-3-12(22)8-14(11)16/h3-10,23H,1-2H3,(H,24,26,28)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50308030
PNG
(5-chloro-7-((4-ethoxyphenyl)(pyridin-3-ylamino)met...)
Show SMILES CCOc1ccc(cc1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C23H20ClN3O2/c1-2-29-17-9-7-15(8-10-17)21(27-16-5-3-11-25-14-16)19-13-20(24)18-6-4-12-26-22(18)23(19)28/h3-14,21,27-28H,2H2,1H3
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113922
PNG
((2S)-2-[[(4-methoxyphenyl)methyl-[(2S)-4-methyl-1-...)
Show SMILES COc1ccc(CN([C@H](CO)CC(C)C)S(=O)(=O)N(Cc2ccccc2)[C@H](CO)CC(C)C)cc1
Show InChI InChI=1S/C27H42N2O5S/c1-21(2)15-25(19-30)28(17-23-9-7-6-8-10-23)35(32,33)29(26(20-31)16-22(3)4)18-24-11-13-27(34-5)14-12-24/h6-14,21-22,25-26,30-31H,15-20H2,1-5H3/t25-,26-/m0/s1
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n/an/a 5.93E+3n/an/an/an/an/an/a



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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113931
PNG
((2R)-2-(4-fluorobenzyl)hex-5-enoic acid [(2S)-2-[[...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@H](CCC=C)Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C40H46FN3O5/c1-3-5-14-32(23-29-17-19-34(41)20-18-29)40(48)49-28-35(24-33-26-42-37-16-10-9-15-36(33)37)43-39(47)31(11-4-2)25-38(46)44(21-22-45)27-30-12-7-6-8-13-30/h3-4,6-10,12-13,15-20,26,31-32,35,42,45H,1-2,5,11,14,21-25,27-28H2,(H,43,47)/t31-,32-,35+/m1/s1
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM52890
PNG
(CMLD003357 | MLS000438839 | SMR000452591 | [3-(4-m...)
Show SMILES COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1
Show InChI InChI=1S/C21H24O7/c1-21(28-20(25)13-6-3-4-7-13)17(22)11-14-10-15(8-5-9-18(23)26-2)27-12-16(14)19(21)24/h10-13H,3-9H2,1-2H3
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM52520
PNG
((6Z)-5-imino-6-(1H-indol-3-ylmethylene)-3-(methylt...)
Show SMILES CSc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12
Show InChI InChI=1S/C15H11N5OS2/c1-22-15-19-23-14-18-13(21)10(12(16)20(14)15)6-8-7-17-11-5-3-2-4-9(8)11/h2-7H,16H2,1H3/b8-6+
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM51400
PNG
(2-(2-bromanyl-4-methyl-phenoxy)-N-(1H-1,2,4-triazo...)
Show SMILES Cc1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-7-2-3-9(8(12)4-7)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
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n/an/a 7.45E+3n/an/an/an/an/an/a



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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113952
PNG
(1-(3,4-difluorophenyl)-1-[4-[3-(trifluoromethyl)ph...)
Show SMILES CC(O)(c1nc(cs1)-c1cccc(c1)C(F)(F)F)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F5NOS/c1-17(25,11-5-6-13(19)14(20)8-11)16-24-15(9-26-16)10-3-2-4-12(7-10)18(21,22)23/h2-9,25H,1H3
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n/an/a 7.59E+3n/an/an/an/an/an/a



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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113864
PNG
(2-[(4-Cyclohexylsulfamoyl-benzenesulfonyl)-thiophe...)
Show SMILES O=C(CN(Cc1cccs1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O5S3/c29-25(26-20-8-3-1-4-9-20)19-28(18-22-12-7-17-34-22)36(32,33)24-15-13-23(14-16-24)35(30,31)27-21-10-5-2-6-11-21/h1,3-4,7-9,12-17,21,27H,2,5-6,10-11,18-19H2,(H,26,29)
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n/an/a 7.69E+3n/an/an/an/an/an/a



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/Q2930RT9
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

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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))
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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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))
BDBM113932
PNG
((2R)-2-(4-fluorobenzyl)hex-5-enoic acid [(2R)-2-[[...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@@H](CC=C)C(=O)N[C@@H](COC(=O)[C@H](CCC=C)Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C40H46FN3O5/c1-3-5-14-32(23-29-17-19-34(41)20-18-29)40(48)49-28-35(24-33-26-42-37-16-10-9-15-36(33)37)43-39(47)31(11-4-2)25-38(46)44(21-22-45)27-30-12-7-6-8-13-30/h3-4,6-10,12-13,15-20,26,31-32,35,42,45H,1-2,5,11,14,21-25,27-28H2,(H,43,47)/t31-,32-,35-/m1/s1
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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/Q2930RT9
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))
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

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

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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))
BDBM113939
PNG
(2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[4...)
Show SMILES CCN(CC)c1ccc(NC(=O)COC(=O)CSc2ccc(Br)cc2C)cc1
Show InChI InChI=1S/C21H25BrN2O3S/c1-4-24(5-2)18-9-7-17(8-10-18)23-20(25)13-27-21(26)14-28-19-11-6-16(22)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM72230
PNG
(MLS000586574 | N-(3-chlorophenyl)-5-({[2-(4-chloro...)
Show SMILES Fc1ccc(cc1C(=O)Nc1cccc(Cl)c1)S(=O)(=O)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17Cl2FN2O3S/c22-15-6-4-14(5-7-15)10-11-25-30(28,29)18-8-9-20(24)19(13-18)21(27)26-17-3-1-2-16(23)12-17/h1-9,12-13,25H,10-11H2,(H,26,27)
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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/Q2930RT9
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))
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))
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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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))
BDBM68039
PNG
(MLS000417348 | N-[2-[4-(dimethylamino)phenyl]-2-(1...)
Show SMILES CN(C)c1ccc(cc1)C(CNS(=O)(=O)c1ccc(F)c(F)c1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H23F2N3O2S/c1-29(2)17-9-7-16(8-10-17)20(21-14-27-24-6-4-3-5-19(21)24)15-28-32(30,31)18-11-12-22(25)23(26)13-18/h3-14,20,27-28H,15H2,1-2H3
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113850
PNG
(6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-N-(4-met...)
Show SMILES Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1
Show InChI InChI=1S/C18H16N6S2/c1-11-6-8-12(9-7-11)20-17-23-15(22-16(19)24-17)10-25-18-21-13-4-2-3-5-14(13)26-18/h2-9H,10H2,1H3,(H3,19,20,22,23,24)
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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/Q2930RT9
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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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))
BDBM113903
PNG
((8S)-7-(4-chlorobenzoyl)-3-[3-(3,3-diphenylpropano...)
Show SMILES NC(=O)[C@@H]1CC2(CN1C(=O)c1ccc(Cl)cc1)CC(=NO2)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C35H31ClN4O4/c36-27-16-14-25(15-17-27)34(43)40-22-35(21-31(40)33(37)42)20-30(39-44-35)26-12-7-13-28(18-26)38-32(41)19-29(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-18,29,31H,19-22H2,(H2,37,42)(H,38,41)/t31-,35?/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/Q2930RT9
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))
BDBM52442
PNG
(2-[2-[(3-amino-7-methyl-thieno[2,3-b]quinoline-2-c...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)n1
Show InChI InChI=1S/C20H18N4O3S2/c1-3-27-15(25)8-12-9-28-20(22-12)24-18(26)17-16(21)13-7-11-5-4-10(2)6-14(11)23-19(13)29-17/h4-7,9H,3,8,21H2,1-2H3,(H,22,24,26)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113896
PNG
(1-(4-anilinophenyl)-3-cycloheptyl-thiourea | 1-(4-...)
Show SMILES S=C(NC1CCCCCC1)Nc1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C20H25N3S/c24-20(22-17-10-4-1-2-5-11-17)23-19-14-12-18(13-15-19)21-16-8-6-3-7-9-16/h3,6-9,12-15,17,21H,1-2,4-5,10-11H2,(H2,22,23,24)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM53851
PNG
(2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl...)
Show SMILES COc1ccc(cc1)-c1nnc(SCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)n1N
Show InChI InChI=1S/C22H25ClN6O4S2/c1-33-16-7-5-15(6-8-16)21-26-27-22(29(21)24)34-14-20(30)25-19-13-17(9-10-18(19)23)35(31,32)28-11-3-2-4-12-28/h5-10,13H,2-4,11-12,14,24H2,1H3,(H,25,30)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113833
PNG
((6Z)-3-methoxy-2-methyl-6-[5-methyl-4-(1-phenyl-4-...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2cnn(c2)-c2ccccc2)c(O)c1C
Show InChI InChI=1S/C21H20N4O2/c1-13-18(27-3)10-9-17(21(13)26)20-19(14(2)23-24-20)15-11-22-25(12-15)16-7-5-4-6-8-16/h4-12,26H,1-3H3,(H,23,24)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM48499
PNG
(MLS000567238 | N-[2-(1H-benzimidazol-2-yl)-5-methy...)
Show SMILES Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H13ClFN5O/c1-10-9-15(23-17(26)16-11(19)5-4-6-12(16)20)25(24-10)18-21-13-7-2-3-8-14(13)22-18/h2-9H,1H3,(H,21,22)(H,23,26)
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113958
PNG
(MLS003121812 | N-(6-methoxy-3-pyridinyl)-2-[5-(2-n...)
Show SMILES COc1ccc(NC(=O)Cn2nnc(c2COc2ccc3ccccc3c2)-c2ccccc2)cn1
Show InChI InChI=1S/C27H23N5O3/c1-34-26-14-12-22(16-28-26)29-25(33)17-32-24(27(30-31-32)20-8-3-2-4-9-20)18-35-23-13-11-19-7-5-6-10-21(19)15-23/h2-16H,17-18H2,1H3,(H,29,33)
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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/Q2930RT9
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

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))
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

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))
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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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))
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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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))
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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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))
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))
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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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))
BDBM53413
PNG
((2S)-2-[[[4-[(4-methylanilino)-oxomethyl]-1H-imida...)
Show SMILES Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H39N5O6/c1-17-11-13-18(14-12-17)31-22(33)20-21(30-16-29-20)23(34)32-19(24(35)37-26(2,3)4)10-8-9-15-28-25(36)38-27(5,6)7/h11-14,16,19H,8-10,15H2,1-7H3,(H,28,36)(H,29,30)(H,31,33)(H,32,34)/t19-/m0/s1
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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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113959
PNG
(1-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,2,...)
Show SMILES OC(c1nc(cs1)-c1ccc2OCOc2c1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H12F3NO3S/c19-18(20,21)17(23,12-4-2-1-3-5-12)16-22-13(9-26-16)11-6-7-14-15(8-11)25-10-24-14/h1-9,23H,10H2
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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/Q2930RT9
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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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
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