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PubChem AID 743254

Compile Data Set for Download or QSAR

Found 235 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 60.6n/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/Q2930RT9
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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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/Q2930RT9
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

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))
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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n/an/a 5.20E+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/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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n/an/a 5.38E+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/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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n/an/a 5.44E+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/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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n/an/a 5.53E+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/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

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))
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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n/an/a 6.93E+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/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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n/an/a 7.23E+3n/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/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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n/an/a 7.43E+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/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

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))
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

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))
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))
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

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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))
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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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/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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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/Q2930RT9
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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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/Q2930RT9
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

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))
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))
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

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))
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

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))
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))
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

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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))
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))
BDBM67995
PNG
(1-(9-carbazolyl)-3-(2,2,3,3,4,4,5,5-octafluoropent...)
Show SMILES OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H17F8NO2/c21-17(22)19(25,26)20(27,28)18(23,24)11-31-10-12(30)9-29-15-7-3-1-5-13(15)14-6-2-4-8-16(14)29/h1-8,12,17,30H,9-11H2
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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))
BDBM68053
PNG
(3-amino-2-N-(3-chlorophenyl)-4-N-(2-methoxyphenyl)...)
Show SMILES COc1ccccc1NC(=O)c1c(N)c(sc1Nc1ccccc1C)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClN4O3S/c1-15-8-3-4-11-18(15)31-26-21(24(32)30-19-12-5-6-13-20(19)34-2)22(28)23(35-26)25(33)29-17-10-7-9-16(27)14-17/h3-14,31H,28H2,1-2H3,(H,29,33)(H,30,32)
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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))
BDBM113899
PNG
(3-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]pheno...)
Show SMILES Oc1cccc(\C=N\N(Cc2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C20H18N2O/c23-20-13-7-10-18(14-20)15-21-22(19-11-5-2-6-12-19)16-17-8-3-1-4-9-17/h1-15,23H,16H2/b21-15+
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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))
BDBM113975
PNG
(2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-[3-...)
Show SMILES Nc1[nH]c(C(=O)c2ccccc2)c(c1C(=O)NCCc1c[nH]c2ccccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H23F3N4O2/c30-29(31,32)20-10-6-9-18(15-20)23-24(27(33)36-25(23)26(37)17-7-2-1-3-8-17)28(38)34-14-13-19-16-35-22-12-5-4-11-21(19)22/h1-12,15-16,35-36H,13-14,33H2,(H,34,38)
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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))
BDBM113986
PNG
(MLS003875557 | N-[2-[(E)-2-(octylsulfamoyl)vinyl]b...)
Show SMILES CCCCCCCCNS(=O)(=O)C=Cc1ccccc1CNC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H36N2O4S/c1-5-6-7-8-9-12-16-24-29(26,27)17-15-19-13-10-11-14-20(19)18-23-21(25)28-22(2,3)4/h10-11,13-15,17,24H,5-9,12,16,18H2,1-4H3,(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))
BDBM113966
PNG
((4S)-1-[(1S)-1-benzyl-2-[2-[[(5S)-5-(4-hydroxybenz...)
Show SMILES Oc1ccc(C[C@H]2CNC(=S)N2CC2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1
Show InChI InChI=1S/C41H53N5O2S2/c47-38-17-13-31(14-18-38)22-35-25-42-40(49)44(35)28-34-12-7-21-43(34)27-36(23-30-8-3-1-4-9-30)46-29-37(24-32-15-19-39(48)20-16-32)45(41(46)50)26-33-10-5-2-6-11-33/h1,3-4,8-9,13-20,33-37,47-48H,2,5-7,10-12,21-29H2,(H,42,49)/t34?,35-,36-,37-/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))
BDBM113954
PNG
(MLS003121996 | N-cyclohexyl-3-(3,4-dichlorobenzyl)...)
Show SMILES CC1(Cc2ccc(Cl)c(Cl)c2)C(=O)Nc2ccc(cc12)S(=O)(=O)NC1CCCCC1
Show InChI InChI=1S/C22H24Cl2N2O3S/c1-22(13-14-7-9-18(23)19(24)11-14)17-12-16(8-10-20(17)25-21(22)27)30(28,29)26-15-5-3-2-4-6-15/h7-12,15,26H,2-6,13H2,1H3,(H,25,27)
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n/an/a 8.03E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113974
PNG
((3S)-1-[(4S)-2-[(2S)-heptan-2-yl]-1,1-bis(oxidanyl...)
Show SMILES CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(ccc2S1(=O)=O)N1CC[C@H](O)C1
Show InChI InChI=1S/C27H38N2O5S/c1-3-4-6-9-21(2)29-18-25(20-33-19-22-10-7-5-8-11-22)34-26-16-23(28-15-14-24(30)17-28)12-13-27(26)35(29,31)32/h5,7-8,10-13,16,21,24-25,30H,3-4,6,9,14-15,17-20H2,1-2H3/t21-,24-,25-/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))
BDBM100259
PNG
(2-hydroxy-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-eny...)
Show SMILES Oc1c(ccccc1=O)C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H11NO5/c18-14(13-3-1-2-4-15(19)16(13)20)10-7-11-5-8-12(9-6-11)17(21)22/h1-10H,(H,19,20)/b10-7+
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n/an/a 8.35E+3n/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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113881
PNG
(4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2...)
Show SMILES O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4S/c29-23(26-18-12-14-20(15-13-18)32-19-7-2-1-3-8-19)17-31-24(30)11-6-16-33-25-27-21-9-4-5-10-22(21)28-25/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,29)(H,27,28)
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n/an/a 8.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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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))
BDBM113951
PNG
(3-[2-methoxy-5-(trifluoromethoxy)benzyl]-3-methyl-...)
Show SMILES COc1ccc(OC(F)(F)F)cc1CC1(C)C(=O)Nc2ccc(cc12)-c1ccsc1
Show InChI InChI=1S/C22H18F3NO3S/c1-21(11-15-9-16(29-22(23,24)25)4-6-19(15)28-2)17-10-13(14-7-8-30-12-14)3-5-18(17)26-20(21)27/h3-10,12H,11H2,1-2H3,(H,26,27)
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n/an/a 8.48E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM65162
PNG
((2-chlorophenyl)-[(Z)-(2-imino-4-phenyl-3-thiazoli...)
Show SMILES Nc1nc(c(N=Nc2ccccc2Cl)s1)-c1ccccc1
Show InChI InChI=1S/C15H11ClN4S/c16-11-8-4-5-9-12(11)19-20-14-13(18-15(17)21-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)
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n/an/a 8.65E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113914
PNG
(MLS001219982 | N-(3-Chloro-4-methyl-phenyl)-2-[N&#...)
Show SMILES COc1cccc(c1)C(=O)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C17H16ClN3O4/c1-10-6-7-12(9-14(10)18)19-16(23)17(24)21-20-15(22)11-4-3-5-13(8-11)25-2/h3-9H,1-2H3,(H,19,23)(H,20,22)(H,21,24)
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n/an/a 8.71E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM67733
PNG
((6E)-6-[4-(2-methoxyphenoxy)-5-methyl-1,2-dihydrop...)
Show SMILES COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCC(C)=C)cc1O
Show InChI InChI=1S/C21H22N2O4/c1-13(2)12-26-15-9-10-16(17(24)11-15)20-21(14(3)22-23-20)27-19-8-6-5-7-18(19)25-4/h5-11,24H,1,12H2,2-4H3,(H,22,23)
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n/an/a 8.72E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM52212
PNG
(2-amino-4-asaryl-5-keto-7,7-dimethyl-6,8-dihydro-4...)
Show SMILES COc1cc(OC)c(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2
Show InChI InChI=1S/C21H24N2O5/c1-21(2)8-13(24)19-17(9-21)28-20(23)12(10-22)18(19)11-6-15(26-4)16(27-5)7-14(11)25-3/h6-7,12,18,23H,8-9H2,1-5H3
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n/an/a 8.80E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM83873
PNG
(3-[[2-keto-3-methyl-5-[3-(trifluoromethyl)phenyl]i...)
Show SMILES CC1(Cc2cccc(c2)C#N)C(=O)Nc2ccc(cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F3N2O/c1-23(13-15-4-2-5-16(10-15)14-28)20-12-18(8-9-21(20)29-22(23)30)17-6-3-7-19(11-17)24(25,26)27/h2-12H,13H2,1H3,(H,29,30)
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n/an/a 8.90E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113839
PNG
((6E)-6-[4-(4-methoxyphenyl)-5-methyl-1,2-dihydropy...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCC(C)=C)cc1O
Show InChI InChI=1S/C21H22N2O3/c1-13(2)12-26-17-9-10-18(19(24)11-17)21-20(14(3)22-23-21)15-5-7-16(25-4)8-6-15/h5-11,24H,1,12H2,2-4H3,(H,22,23)
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n/an/a 9.09E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM83856
PNG
(MLS003129868 | SMR001834314 | cid_46903291)
Show SMILES C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCc2ccccc2-c2c(C1=O)n(C)c1ccccc21
Show InChI InChI=1S/C32H36ClN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-23(26)20-41-29(21)18-34(3)42(39,40)25-15-13-24(33)14-16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29-/m0/s1
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n/an/a 9.56E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM53160
PNG
(3-[2-(2-carboxyethyl)-5-phenyl-1-pyrrolyl]benzoic ...)
Show SMILES OC(=O)CCc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C20H17NO4/c22-19(23)12-10-16-9-11-18(14-5-2-1-3-6-14)21(16)17-8-4-7-15(13-17)20(24)25/h1-9,11,13H,10,12H2,(H,22,23)(H,24,25)
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n/an/a 9.61E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113977
PNG
(2-[[5-(4-tert-butylphenyl)-4-(4-ethoxyphenyl)-1,2,...)
Show SMILES CCOc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)nnc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C31H32N6O4S3/c1-5-41-25-14-12-24(13-15-25)37-28(21-6-8-22(9-7-21)31(2,3)4)34-35-30(37)43-20-27(38)33-23-10-16-26(17-11-23)44(39,40)36-29-32-18-19-42-29/h6-19H,5,20H2,1-4H3,(H,32,36)(H,33,38)
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n/an/a 9.71E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM113913
PNG
((2S)-2-[[5-[[4-[(tert-butoxycarbonylamino)methyl]b...)
Show SMILES CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C31H39N5O6/c1-30(2,3)41-28(39)23(16-20-10-8-7-9-11-20)36-27(38)25-24(34-19-35-25)26(37)32-17-21-12-14-22(15-13-21)18-33-29(40)42-31(4,5)6/h7-15,19,23H,16-18H2,1-6H3,(H,32,37)(H,33,40)(H,34,35)(H,36,38)/t23-/m0/s1
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n/an/a 9.77E+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/Q2930RT9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM52725
PNG
(5-(4-chlorophenyl)-1,2-dihydropyrazolo[4,3-c]pyrid...)
Show SMILES Clc1ccc(cc1)-n1nc2c(cc1=O)[nH][nH]c2=O
Show InChI InChI=1S/C11H7ClN4O2/c12-6-1-3-7(4-2-6)16-9(17)5-8-10(15-16)11(18)14-13-8/h1-5,13H,(H,14,18)
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n/an/a 1.01E+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/Q2930RT9
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%