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Compile Data Set for Download or QSAR

Found 1334 hits with Last Name = 'lundell' and Initial = 'd'   
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
TNF-alpha-Converting Enzyme


(Homo sapiens (Human))
BDBM26526
PNG
((2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylqui...)
Show SMILES C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Show InChI InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
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0.0600 -57.8n/an/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


Bioorg Med Chem Lett 19: 54-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2JH3JH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Homo sapiens (Human))
BDBM50332270
PNG
((R)-3-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(c3)C#N)C(=O)c2c1 |r|
Show InChI InChI=1S/C22H16N4O4/c1-30-17-6-5-16-12-26(19(27)18(16)10-17)13-22(20(28)24-21(29)25-22)8-7-14-3-2-4-15(9-14)11-23/h2-6,9-10H,12-13H2,1H3,(H2,24,25,28,29)/t22-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332292
PNG
((R)-5-((4-(3-hydroxypyridin-2-yl)phenyl)ethynyl)-5...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)-c3ncccc3O)C(=O)c2c1 |r|
Show InChI InChI=1S/C26H20N4O5/c1-35-19-9-8-18-14-30(23(32)20(18)13-19)15-26(24(33)28-25(34)29-26)11-10-16-4-6-17(7-5-16)22-21(31)3-2-12-27-22/h2-9,12-13,31H,14-15H2,1H3,(H2,28,29,33,34)/t26-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM102669
PNG
(CHEMBL1288726 | US8541572, 976)
Show SMILES CCN1CCN(CC1)c1ccc(O)c(n1)-c1ccc(cc1F)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C32H31FN6O5/c1-3-37-12-14-38(15-13-37)27-9-8-26(40)28(34-27)23-7-4-20(16-25(23)33)10-11-32(30(42)35-31(43)36-32)19-39-18-21-5-6-22(44-2)17-24(21)29(39)41/h4-9,16-17,40H,3,12-15,18-19H2,1-2H3,(H2,35,36,42,43)/t32-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50325003
PNG
((R)-5-(4-(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)p...)
Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3c[nH]c(=O)c(Cl)c3)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H16ClFN4O4/c24-18-7-14(9-26-19(18)30)12-1-4-15(5-2-12)23(21(32)27-22(33)28-23)11-29-10-13-3-6-16(25)8-17(13)20(29)31/h1-9H,10-11H2,(H,26,30)(H2,27,28,32,33)/t23-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage


Bioorg Med Chem Lett 20: 5286-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.134
BindingDB Entry DOI: 10.7270/Q26W9B8K
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332265
PNG
((R)-5-((2-fluorophenyl)ethynyl)-5-((6-methoxy-1-ox...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccccc3F)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H16FN3O4/c1-29-15-7-6-14-11-25(18(26)16(14)10-15)12-21(19(27)23-20(28)24-21)9-8-13-4-2-3-5-17(13)22/h2-7,10H,11-12H2,1H3,(H2,23,24,27,28)/t21-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332262
PNG
((R)-5-((6-methoxy-1-oxoisoindolin-2-yl)methyl)-5-(...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccccc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H17N3O4/c1-28-16-8-7-15-12-24(18(25)17(15)11-16)13-21(19(26)22-20(27)23-21)10-9-14-5-3-2-4-6-14/h2-8,11H,12-13H2,1H3,(H2,22,23,26,27)/t21-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
TNF-alpha-Converting Enzyme


(Homo sapiens (Human))
BDBM26524
PNG
((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1
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0.140 -55.7n/an/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


Bioorg Med Chem Lett 19: 54-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2JH3JH7
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292694
PNG
((1R,2S)-1-(3-fluoro-4-((2-(pyridin-3-yl)quinolin-4...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3cccnc3)c(F)c2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C27H23FN4O4/c28-21-10-16(12-27(26(29)34)13-20(27)25(33)32-35)7-8-24(21)36-15-18-11-23(17-4-3-9-30-14-17)31-22-6-2-1-5-19(18)22/h1-11,14,20,35H,12-13,15H2,(H2,29,34)(H,32,33)/t20-,27+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM26524
PNG
((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292693
PNG
((1R,2S)-1-(3-fluoro-4-((2-(1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1ccc(n1)-c1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2F)c2ccccc2n1 |r|
Show InChI InChI=1S/C26H24FN5O4/c1-32-9-8-21(30-32)22-11-16(17-4-2-3-5-20(17)29-22)14-36-23-7-6-15(10-19(23)27)12-26(25(28)34)13-18(26)24(33)31-35/h2-11,18,35H,12-14H2,1H3,(H2,28,34)(H,31,33)/t18-,26+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292691
PNG
((1R,2S)-1-(3-fluoro-4-((2-(pyrrolidin-1-yl)quinoli...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)N3CCCC3)c(F)c2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H27FN4O4/c27-20-11-16(13-26(25(28)33)14-19(26)24(32)30-34)7-8-22(20)35-15-17-12-23(31-9-3-4-10-31)29-21-6-2-1-5-18(17)21/h1-2,5-8,11-12,19,34H,3-4,9-10,13-15H2,(H2,28,33)(H,30,32)/t19-,26+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332288
PNG
((R)-4-((4-((6-methoxy-1-oxoisoindolin-2-yl)methyl)...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(CN=O)cc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C22H18N4O5/c1-31-17-7-6-16-12-26(19(27)18(16)10-17)13-22(20(28)24-21(29)25-22)9-8-14-2-4-15(5-3-14)11-23-30/h2-7,10H,11-13H2,1H3,(H2,24,25,28,29)/t22-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332289
PNG
((R)-5-((4-((4-ethylpiperazin-1-yl)(hydroxyimino)me...)
Show SMILES CCN1CCN(CC1)C(=NO)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:9.10|
Show InChI InChI=1S/C28H30N6O5/c1-3-32-12-14-33(15-13-32)24(31-38)20-6-4-19(5-7-20)10-11-28(26(36)29-27(37)30-28)18-34-17-21-8-9-22(39-2)16-23(21)25(34)35/h4-9,16,38H,3,12-15,17-18H2,1-2H3,(H2,29,30,36,37)/t28-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332278
PNG
((R)-5-((1H-indol-5-yl)ethynyl)-5-((6-methoxy-1-oxo...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4[nH]ccc4c3)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H18N4O4/c1-31-17-4-3-16-12-27(20(28)18(16)11-17)13-23(21(29)25-22(30)26-23)8-6-14-2-5-19-15(10-14)7-9-24-19/h2-5,7,9-11,24H,12-13H2,1H3,(H2,25,26,29,30)/t23-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
TNF-alpha-Converting Enzyme


(Homo sapiens (Human))
BDBM26525
PNG
((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
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0.180 -55.1n/an/an/an/an/a7.322



Schering-Plough Research Institute



Assay Description
Enzyme activity was determined by a kinetic assay measuring the rate of increase in fluorescent intensity generated by the cleavage of an internally ...


Bioorg Med Chem Lett 19: 54-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2JH3JH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Homo sapiens (Human))
BDBM50332290
PNG
((R)-5-((6-((4-ethylpiperazin-1-yl)(hydroxyimino)me...)
Show SMILES CCN1CCN(CC1)C(=NO)c1ccc(cn1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r,w:9.10|
Show InChI InChI=1S/C27H29N7O5/c1-3-32-10-12-33(13-11-32)23(31-38)22-7-4-18(15-28-22)8-9-27(25(36)29-26(37)30-27)17-34-16-19-5-6-20(39-2)14-21(19)24(34)35/h4-7,14-15,38H,3,10-13,16-17H2,1-2H3,(H2,29,30,36,37)/t27-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM26525
PNG
((1S,2R)-1-N-hydroxy-2-({4-[(2-phenylquinolin-4-yl)...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C28H25N3O4/c29-27(33)28(16-23(28)26(32)31-34)15-18-10-12-21(13-11-18)35-17-20-14-25(19-6-2-1-3-7-19)30-24-9-5-4-8-22(20)24/h1-14,23,34H,15-17H2,(H2,29,33)(H,31,32)/t23-,28+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Homo sapiens (Human))
BDBM50332279
PNG
((R)-5-((1H-indol-6-yl)ethynyl)-5-((6-methoxy-1-oxo...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4cc[nH]c4c3)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H18N4O4/c1-31-17-5-4-16-12-27(20(28)18(16)11-17)13-23(21(29)25-22(30)26-23)8-6-14-2-3-15-7-9-24-19(15)10-14/h2-5,7,9-11,24H,12-13H2,1H3,(H2,25,26,29,30)/t23-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332264
PNG
((R)-5-((3-fluorophenyl)ethynyl)-5-((6-methoxy-1-ox...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cccc(F)c3)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H16FN3O4/c1-29-16-6-5-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)8-7-13-3-2-4-15(22)9-13/h2-6,9-10H,11-12H2,1H3,(H2,23,24,27,28)/t21-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50305990
PNG
(CHEMBL596388 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H23ClF4N2O6S3/c1-2-20(14-27-37(33,34)21(24,25)26)9-11-28(12-10-20)36(31,32)18-8-7-15(22)13-19(18)35(29,30)17-6-4-3-5-16(17)23/h3-8,13,27H,2,9-12,14H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50243056
PNG
(CHEMBL4085232)
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0.200n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50325002
PNG
((R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3ccc(cc3)-c3ccc(=O)[nH]c3)C(=O)c2c1 |r|
Show InChI InChI=1S/C23H17FN4O4/c24-17-7-3-15-11-28(20(30)18(15)9-17)12-23(21(31)26-22(32)27-23)16-5-1-13(2-6-16)14-4-8-19(29)25-10-14/h1-10H,11-12H2,(H,25,29)(H2,26,27,31,32)/t23-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE assessed as inhibition of pro-TNFalpha peptide cleavage


Bioorg Med Chem Lett 20: 5286-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.134
BindingDB Entry DOI: 10.7270/Q26W9B8K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329148
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES OC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H21F4N3O7S3/c22-16-6-2-4-8-18(16)36(30,31)28-17-7-3-1-5-15(17)13-19(28)37(32,33)27-11-9-20(29,10-12-27)14-26-38(34,35)21(23,24)25/h1-8,13,26,29H,9-12,14H2
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50243045
PNG
(CHEMBL4095412)
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0.200n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50343977
PNG
((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-4-oxo-N-...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1Cc2ccccc2C1)C(=O)NCc1ccc(Cn2c(nc3ccccc23)C(F)(F)F)s1 |r|
Show InChI InChI=1S/C26H23F3N4O4S/c27-26(28,29)25-31-19-7-3-4-8-20(19)33(25)14-18-10-9-17(38-18)11-30-23(36)21(34)22(35)24(37)32-12-15-5-1-2-6-16(15)13-32/h1-10,21-22,34-35H,11-14H2,(H,30,36)/t21-,22-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 4812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292690
PNG
((1R,2S)-1-(3-fluoro-4-((2-morpholinoquinolin-4-yl)...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)N3CCOCC3)c(F)c2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H27FN4O5/c27-20-11-16(13-26(25(28)33)14-19(26)24(32)30-34)5-6-22(20)36-15-17-12-23(31-7-9-35-10-8-31)29-21-4-2-1-3-18(17)21/h1-6,11-12,19,34H,7-10,13-15H2,(H2,28,33)(H,30,32)/t19-,26+/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332291
PNG
((R)-5-((4-((hydroxyimino)(4-methylpiperazin-1-yl)m...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(=NO)N3CCN(C)CC3)C(=O)c2c1 |r,w:25.27|
Show InChI InChI=1S/C27H28N6O5/c1-31-11-13-32(14-12-31)23(30-37)19-5-3-18(4-6-19)9-10-27(25(35)28-26(36)29-27)17-33-16-20-7-8-21(38-2)15-22(20)24(33)34/h3-8,15,37H,11-14,16-17H2,1-2H3,(H2,28,29,35,36)/t27-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292688
PNG
((1S,2R)-N-hydroxy-2-((S)-3-hydroxypyrrolidine-1-ca...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C(=O)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C32H31N3O5/c36-24-14-15-35(19-24)31(38)32(18-27(32)30(37)34-39)17-21-10-12-25(13-11-21)40-20-23-16-29(22-6-2-1-3-7-22)33-28-9-5-4-8-26(23)28/h1-13,16,24,27,36,39H,14-15,17-20H2,(H,34,37)/t24-,27+,32-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332263
PNG
((R)-5-((4-fluorophenyl)ethynyl)-5-((6-methoxy-1-ox...)
Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(F)cc3)C(=O)c2c1 |r|
Show InChI InChI=1S/C21H16FN3O4/c1-29-16-7-4-14-11-25(18(26)17(14)10-16)12-21(19(27)23-20(28)24-21)9-8-13-2-5-15(22)6-3-13/h2-7,10H,11-12H2,1H3,(H2,23,24,27,28)/t21-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292689
PNG
((1R,2S)-N2-hydroxy-N1,N1-dimethyl-1-(4-((2-phenylq...)
Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H29N3O4/c1-33(2)29(35)30(18-25(30)28(34)32-36)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,36H,17-19H2,1-2H3,(H,32,34)/t25-,30+/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50332285
PNG
((R)-5-((4-((4-ethylpiperazin-1-yl)methyl)phenyl)et...)
Show SMILES CCN1CCN(Cc2ccc(cc2)C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)CC1 |r|
Show InChI InChI=1S/C28H31N5O4/c1-3-31-12-14-32(15-13-31)17-21-6-4-20(5-7-21)10-11-28(26(35)29-27(36)30-28)19-33-18-22-8-9-23(37-2)16-24(22)25(33)34/h4-9,16H,3,12-15,17-19H2,1-2H3,(H2,29,30,35,36)/t28-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 20: 7283-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.081
BindingDB Entry DOI: 10.7270/Q2Z89CP0
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50243039
PNG
(CHEMBL4089108)
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0.300n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292681
PNG
((1S,2R)-N-hydroxy-2-((S)-2-(hydroxymethyl)pyrrolid...)
Show SMILES OC[C@@H]1CCCN1C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C33H33N3O5/c37-20-25-9-6-16-36(25)32(39)33(19-28(33)31(38)35-40)18-22-12-14-26(15-13-22)41-21-24-17-30(23-7-2-1-3-8-23)34-29-11-5-4-10-27(24)29/h1-5,7-8,10-15,17,25,28,37,40H,6,9,16,18-21H2,(H,35,38)/t25-,28+,33-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329147
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O6S3/c1-21(15-27-38(34,35)22(24,25)26)10-12-28(13-11-21)37(32,33)20-14-16-6-2-4-8-18(16)29(20)36(30,31)19-9-5-3-7-17(19)23/h2-9,14,27H,10-13,15H2,1H3
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0.350n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292682
PNG
((1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)meth...)
Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329151
PNG
(1,1,1-trifluoro-N-((1-(1-(2-fluorophenylsulfonyl)-...)
Show SMILES Fc1ccccc1S(=O)(=O)n1c(cc2ccccc12)S(=O)(=O)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1
Show InChI InChI=1S/C21H21F4N3O6S3/c22-17-6-2-4-8-19(17)35(29,30)28-18-7-3-1-5-16(18)13-20(28)36(31,32)27-11-9-15(10-12-27)14-26-37(33,34)21(23,24)25/h1-8,13,15,26H,9-12,14H2
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0.380n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50292687
PNG
((1S,2R)-2-((R)-3-(dimethylamino)pyrrolidine-1-carb...)
Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C34H36N4O4/c1-37(2)26-16-17-38(21-26)33(40)34(20-29(34)32(39)36-41)19-23-12-14-27(15-13-23)42-22-25-18-31(24-8-4-3-5-9-24)35-30-11-7-6-10-28(25)30/h3-15,18,26,29,41H,16-17,19-22H2,1-2H3,(H,36,39)/t26-,29-,34+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE


Bioorg Med Chem Lett 18: 5809-14 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.045
BindingDB Entry DOI: 10.7270/Q2N29WZX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM85739
PNG
(CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12
Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
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0.380n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 2


Bioorg Med Chem Lett 15: 783-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.007
BindingDB Entry DOI: 10.7270/Q2MW2GN7
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50305989
PNG
(CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Show SMILES CC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-19(13-26-36(32,33)20(23,24)25)8-10-27(11-9-19)35(30,31)17-7-6-14(21)12-18(17)34(28,29)16-5-3-2-4-15(16)22/h2-7,12,26H,8-11,13H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 608-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.084
BindingDB Entry DOI: 10.7270/Q2SB45V0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329150
PNG
(1,1,1-trifluoro-N-(1-(1-(1-(2-fluorophenylsulfonyl...)
Show SMILES CC(NS(=O)(=O)C(F)(F)F)C1CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H23F4N3O6S3/c1-15(27-38(34,35)22(24,25)26)16-10-12-28(13-11-16)37(32,33)21-14-17-6-2-4-8-19(17)29(21)36(30,31)20-9-5-3-7-18(20)23/h2-9,14-16,27H,10-13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329130
PNG
((S)-1,1,1-trifluoro-N-(6-(1-(pyridin-2-ylsulfonyl)...)
Show SMILES FC(F)(F)S(=O)(=O)N[C@H]1CC11CCN(CC1)S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C21H21F3N4O6S3/c22-21(23,24)37(33,34)26-17-14-20(17)8-11-27(12-9-20)36(31,32)19-13-15-5-1-2-6-16(15)28(19)35(29,30)18-7-3-4-10-25-18/h1-7,10,13,17,26H,8-9,11-12,14H2/t17-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50329129
PNG
(CHEMBL1271093 | N-((4-ethyl-1-(5-fluoro-1-(2-fluor...)
Show SMILES CCC1(CNS(=O)(=O)C(F)(F)F)CCN(CC1)S(=O)(=O)c1cc2cc(F)ccc2n1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C23H24F5N3O6S3/c1-2-22(15-29-40(36,37)23(26,27)28)9-11-30(12-10-22)39(34,35)21-14-16-13-17(24)7-8-19(16)31(21)38(32,33)20-6-4-3-5-18(20)25/h3-8,13-14,29H,2,9-12,15H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of beta-arrestin binding to recombinant cannabinoid CB2 receptor


Bioorg Med Chem Lett 20: 6785-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.126
BindingDB Entry DOI: 10.7270/Q26Q1XGJ
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50342973
PNG
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@]1(C)c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1 |r|
Show InChI InChI=1S/C26H29ClN4O4/c1-17(18-8-10-21(11-9-18)31-15-5-13-28-31)29-24(34)22(32)23(33)25(35)30-14-4-12-26(30,2)19-6-3-7-20(27)16-19/h3,5-11,13,15-17,22-23,32-33H,4,12,14H2,1-2H3,(H,29,34)/t17-,22-,23-,26-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 21: 3172-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.002
BindingDB Entry DOI: 10.7270/Q28P60T1
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50342953
PNG
((2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5...)
Show SMILES CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(cc2)-n2cccn2)c(s1)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H30N6O6S2/c1-14(15-7-9-16(10-8-15)30-13-5-11-26-30)27-21(33)19(31)20(32)22(34)29-12-4-6-17(29)18-23(38(3,35)36)37-24(25-2)28-18/h5,7-11,13-14,17,19-20,31-32H,4,6,12H2,1-3H3,(H,25,28)(H,27,33)/t14-,17-,19-,20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 21: 3172-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.002
BindingDB Entry DOI: 10.7270/Q28P60T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ADAM17


(Homo sapiens (Human))
BDBM50243057
PNG
(CHEMBL4104084)
PDB
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0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50243084
PNG
(CHEMBL4074516)
PDB
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0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50243134
PNG
(CHEMBL4079423)
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0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50243097
PNG
(CHEMBL4060386)
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0.400n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 3037-3042 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.062
More data for this
Ligand-Target Pair
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