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31 similar compounds to monomer 50151243

Compile data set for download or QSAR
Wt: 302.3
BDBM50151242
Wt: 544.6
BDBM50151244
Wt: 411.4
BDBM50151246
Wt: 446.6
BDBM50151248
Wt: 425.6
BDBM50151265
Wt: 416.5
BDBM50151268
Wt: 417.4
BDBM50151279
Wt: 414.5
BDBM50151258
Wt: 411.5
BDBM50151247
Wt: 445.6
BDBM50151249
Wt: 430.6
BDBM50151250
Wt: 419.5
BDBM50151255
Wt: 420.5
BDBM50151256
Wt: 413.5
BDBM50151259
Wt: 425.6
BDBM50151263
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 63 hits for monomerid = 50151242,50151244,50151246,50151248,50151265,50151268,50151279,50151258,50151247,50151249,50151250,50151255,50151256,50151259,50151263   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151258
PNG
(CHEMBL3770485)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151259
PNG
(CHEMBL3770830)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151263
PNG
(CHEMBL3770151)
Show SMILES O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29+/s2
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7.60n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151268
PNG
(CHEMBL3771017)
Show SMILES OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H32N2O2/c30-22-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
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11n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151249
PNG
(CHEMBL3770762)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C28H31NS2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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15n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151256
PNG
(CHEMBL3769960)
Show SMILES C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27-/s2
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31n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151265
PNG
(CHEMBL3769446)
Show SMILES O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29-/s2
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50n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151255
PNG
(CHEMBL3769675)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C28H37NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-2,4-7,10-13,24,26-27H,3,8-9,14-22H2/t27-,28+/s2
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56n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151250
PNG
(CHEMBL3770832)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2OS/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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63n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151247
PNG
(CHEMBL3769801)
Show SMILES C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
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174n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151265
PNG
(CHEMBL3769446)
Show SMILES O[C@@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29-/s2
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229n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151263
PNG
(CHEMBL3770151)
Show SMILES O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show InChI InChI=1/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29+/s2
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282n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151248
PNG
(CHEMBL3770871)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2S2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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302n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151259
PNG
(CHEMBL3770830)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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550n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151255
PNG
(CHEMBL3769675)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C28H37NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-2,4-7,10-13,24,26-27H,3,8-9,14-22H2/t27-,28+/s2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151250
PNG
(CHEMBL3770832)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2OS/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151258
PNG
(CHEMBL3770485)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151248
PNG
(CHEMBL3770871)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H30N2S2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151247
PNG
(CHEMBL3769801)
Show SMILES C(C1CCC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C29H33NO/c1-4-10-24(11-5-1)22-25-17-20-30(21-18-25)23-28-16-19-29(31-28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28H,16-23H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151268
PNG
(CHEMBL3771017)
Show SMILES OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1/C27H32N2O2/c30-22-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151256
PNG
(CHEMBL3769960)
Show SMILES C([C@@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27-/s2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151249
PNG
(CHEMBL3770762)
Show SMILES C(C1CSC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1/C28H31NS2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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<1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human KM-H2 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 5.00E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L428 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-17 in human L428 cells assessed as reduction in pervanadate-induced soluble ALCAM shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble ULBP3 shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced soluble MICB shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM-10 in human L540 cells assessed as reduction in pervanadate-induced TNFalpha shedding after 24 hrs by ELISA


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50151279
PNG
(CHEMBL3770531)
Show SMILES FC(F)(F)C(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C17H18F3N3O2S2/c18-17(19,20)11(24)4-2-1-3-7-21-14(25)12-13(10-5-6-10)27-16(23-12)15-22-8-9-26-15/h8-10H,1-7H2,(H,21,25)
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n/an/a 160n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50151279
PNG
(CHEMBL3770531)
Show SMILES FC(F)(F)C(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C17H18F3N3O2S2/c18-17(19,20)11(24)4-2-1-3-7-21-14(25)12-13(10-5-6-10)27-16(23-12)15-22-8-9-26-15/h8-10H,1-7H2,(H,21,25)
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n/an/a 151n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151279
PNG
(CHEMBL3770531)
Show SMILES FC(F)(F)C(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C17H18F3N3O2S2/c18-17(19,20)11(24)4-2-1-3-7-21-14(25)12-13(10-5-6-10)27-16(23-12)15-22-8-9-26-15/h8-10H,1-7H2,(H,21,25)
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n/an/a 143n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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n/an/a 9.20n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 40n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-10 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 1 hr by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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n/an/a 90n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 1.50E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ADAM-17 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 30 mins by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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n/an/a 5.00E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 1.00E+5n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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n/an/a 4.50E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 2.40E+4n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151244
PNG
(CHEMBL3770688)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO)C#N
Show InChI InChI=1/C25H32N6O6S/c1-19-16-21(17-26)9-10-23(19)30-12-14-31(15-13-30)38(35,36)29-22(24(32)28-34)8-5-11-27-25(33)37-18-20-6-3-2-4-7-20/h2-4,6-7,9-10,16,22,29,34H,5,8,11-15,18H2,1H3,(H,27,33)(H,28,32)/t22-/s2
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n/an/a 370n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50151246
PNG
(CHEMBL3770935)
Show SMILES Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show InChI InChI=1/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/s2
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n/an/a 5.40E+3n/an/an/an/an/an/a



San Raffaele Scientific Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate after 3 hrs by fluorometric assay


Eur J Med Chem 111: 193-201 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.053
BindingDB Entry DOI: 10.7270/Q2765H73
More data for this
Ligand-Target Pair
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