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Compile Data Set for Download or QSAR

Found 69 hits of ic50 data for polymerid = 7602   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Department of Life Science and National Research Laboratory of Proteolysis

Curated by ChEMBL


Assay Description
In vitro inhibition of A disintegrin and metalloproteinase domain 9 (ADAM9)


Bioorg Med Chem Lett 14: 6071-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.082
BindingDB Entry DOI: 10.7270/Q29Z94DH
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of ADAM9 after 10 to 15 mins by fluorescence assay


J Med Chem 52: 5732-47 (2009)


Article DOI: 10.1021/jm9009394
BindingDB Entry DOI: 10.7270/Q2BG2PXP
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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n/an/a 56n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of ADAM9 after 10 to 15 mins by fluorescence assay


J Med Chem 52: 5732-47 (2009)


Article DOI: 10.1021/jm9009394
BindingDB Entry DOI: 10.7270/Q2BG2PXP
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109614
PNG
(CHEMBL353536 | [4-(2-Ethoxy-ethoxy)-phenyl]-(3-hyd...)
Show SMILES CCOCCOc1ccc(cc1)P(=O)(OCC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C22H29N2O6P/c1-3-28-13-14-29-19-9-11-20(12-10-19)31(27,30-4-2)24-16-18-8-6-5-7-17(18)15-21(24)22(25)23-26/h5-12,21,26H,3-4,13-16H2,1-2H3,(H,23,25)
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n/an/a 70n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109630
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C18H21N2O5P/c1-24-15-7-9-16(10-8-15)26(23,25-2)20-12-14-6-4-3-5-13(14)11-17(20)18(21)19-22/h3-10,17,22H,11-12H2,1-2H3,(H,19,21)
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n/an/a 70n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50181008
PNG
((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1 |r|
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVLOPMENT

US Patent


Assay Description
The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...


US Patent US9365529 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DC8
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50181008
PNG
((S)-N-hydroxy-4-(4-(4-hydroxybut-2-ynyloxy)phenyls...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1 |r|
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...


US Patent US9266848 (2016)


BindingDB Entry DOI: 10.7270/Q2TM78ZS
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM175095
PNG
(US9115102, Apratastat)
Show SMILES CC1(C)SCCN(C1C(=O)NO)S(=O)(=O)c1ccc(OCC#CCO)cc1
Show InChI InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)
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n/an/a 85n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50453825
PNG
(CHEMBL4215407 | US10556883, Compound 19a)
Show SMILES CC(C)C(=O)N1CC(C1)(N(C)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)24(31)30-15-26(16-30,25(32)28-33)29(4)37(34,35)21-11-9-20(10-12-21)36-14-19-13-18(3)27-23-8-6-5-7-22(19)23/h5-13,17,33H,14-16H2,1-4H3,(H,28,32)
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n/an/a 90n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of ADAM9 (unknown origin)


Bioorg Med Chem 26: 945-956 (2018)


Article DOI: 10.1016/j.bmc.2017.07.054
BindingDB Entry DOI: 10.7270/Q2RX9FPH
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109631
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccn1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H26N3O5P/c1-31-21-9-11-22(12-10-21)33(30,32-15-13-20-8-4-5-14-25-20)27-17-19-7-3-2-6-18(19)16-23(27)24(28)26-29/h2-12,14,23,29H,13,15-17H2,1H3,(H,26,28)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109610
PNG
((7-Amino-3-hydroxycarbamoyl-3,4-dihydro-1H-isoquin...)
Show SMILES CCOP(=O)(N1Cc2cc(N)ccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H24N3O5P/c1-3-27-28(25,17-8-6-16(26-2)7-9-17)22-12-14-10-15(20)5-4-13(14)11-18(22)19(23)21-24/h4-10,18,24H,3,11-12,20H2,1-2H3,(H,21,23)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50370191
PNG
(CHEMBL366478)
Show SMILES CCO[P@](=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C19H23N2O5P/c1-3-26-27(24,17-10-8-16(25-2)9-11-17)21-13-15-7-5-4-6-14(15)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)/t18?,27-/m0/s1
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109635
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H25N2O5P/c1-2-30-32(29,22-14-12-21(13-15-22)31-20-10-4-3-5-11-20)26-17-19-9-7-6-8-18(19)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109629
PNG
((4-Fluoro-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12H2,1H3,(H,20,22)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109628
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccccc1
Show InChI InChI=1S/C18H21N2O4P/c1-2-24-25(23,16-10-4-3-5-11-16)20-13-15-9-7-6-8-14(15)12-17(20)18(21)19-22/h3-11,17,22H,2,12-13H2,1H3,(H,19,21)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109637
PNG
(4-[Ethoxy-(4-methoxy-phenyl)-phosphinoyl]-3-hydrox...)
Show SMILES CCOP(=O)(N1CCN(CC1C(=O)NO)C(=O)OCc1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N3O7P/c1-3-32-33(29,19-11-9-18(30-2)10-12-19)25-14-13-24(15-20(25)21(26)23-28)22(27)31-16-17-7-5-4-6-8-17/h4-12,20,28H,3,13-16H2,1-2H3,(H,23,26)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50453823
PNG
(CHEMBL4208519 | US10556883, Compound 19d)
Show SMILES CC(C)CC(=O)N1CC(C1)(N(C)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C27H32N4O6S/c1-18(2)13-25(32)31-16-27(17-31,26(33)29-34)30(4)38(35,36)22-11-9-21(10-12-22)37-15-20-14-19(3)28-24-8-6-5-7-23(20)24/h5-12,14,18,34H,13,15-17H2,1-4H3,(H,29,33)
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Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of ADAM9 (unknown origin)


Bioorg Med Chem 26: 945-956 (2018)


Article DOI: 10.1016/j.bmc.2017.07.054
BindingDB Entry DOI: 10.7270/Q2RX9FPH
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109634
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O6P/c1-3-28-12-13-29-30(26,19-10-8-18(27-2)9-11-19)23-15-17-7-5-4-6-16(17)14-20(23)21(24)22-25/h4-11,20,25H,3,12-15H2,1-2H3,(H,22,24)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109624
PNG
((6-Hydroxycarbamoyl-6,7-dihydro-4H-thieno[3,2-c]py...)
Show SMILES CCOP(=O)(N1Cc2ccsc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N2O5PS/c1-3-24-25(22,14-6-4-13(23-2)5-7-14)19-11-12-8-9-26-16(12)10-15(19)17(20)18-21/h4-9,15,21H,3,10-11H2,1-2H3,(H,18,20)
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Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109616
PNG
((7-Hydroxycarbamoyl-7,8-dihydro-5H-pyrido[3,4-b]py...)
Show SMILES CCOP(=O)(N1Cc2nccnc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C17H21N4O5P/c1-3-26-27(24,13-6-4-12(25-2)5-7-13)21-11-15-14(18-8-9-19-15)10-16(21)17(22)20-23/h4-9,16,23H,3,10-11H2,1-2H3,(H,20,22)
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n/an/a 560n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109625
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C23H24N3O5P/c1-2-30-32(29,21-9-7-19(8-10-21)31-20-11-13-24-14-12-20)26-16-18-6-4-3-5-17(18)15-22(26)23(27)25-28/h3-14,22,28H,2,15-16H2,1H3,(H,25,27)
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n/an/a 660n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109623
PNG
((4-Amino-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-1...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(N)cc1
Show InChI InChI=1S/C18H22N3O4P/c1-2-25-26(24,16-9-7-15(19)8-10-16)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-23/h3-10,17,23H,2,11-12,19H2,1H3,(H,20,22)
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n/an/a 660n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109613
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(CCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C20H25N2O4P/c1-2-26-27(25,13-12-16-8-4-3-5-9-16)22-15-18-11-7-6-10-17(18)14-19(22)20(23)21-24/h3-11,19,24H,2,12-15H2,1H3,(H,21,23)
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n/an/a 700n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109633
PNG
((3-Hydroxycarbamoyl-1,3,4,9-tetrahydro-beta-carbol...)
Show SMILES CCOP(=O)(N1Cc2[nH]c3ccccc3c2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H24N3O5P/c1-3-29-30(27,15-10-8-14(28-2)9-11-15)24-13-19-17(12-20(24)21(25)23-26)16-6-4-5-7-18(16)22-19/h4-11,20,22,26H,3,12-13H2,1-2H3,(H,23,25)
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n/an/a 800n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109627
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C21H27N2O5P/c1-3-4-13-28-29(26,19-11-9-18(27-2)10-12-19)23-15-17-8-6-5-7-16(17)14-20(23)21(24)22-25/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,22,24)
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n/an/a 810n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109632
PNG
((3-Fluoro-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1cccc(F)c1
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,16-9-5-8-15(19)11-16)21-12-14-7-4-3-6-13(14)10-17(21)18(22)20-23/h3-9,11,17,23H,2,10,12H2,1H3,(H,20,22)
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n/an/a 830n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109640
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1cccs1
Show InChI InChI=1S/C16H19N2O4PS/c1-2-22-23(21,15-8-5-9-24-15)18-11-13-7-4-3-6-12(13)10-14(18)16(19)17-20/h3-9,14,20H,2,10-11H2,1H3,(H,17,19)
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n/an/a 890n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109611
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(\C=C\c1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C20H23N2O4P/c1-2-26-27(25,13-12-16-8-4-3-5-9-16)22-15-18-11-7-6-10-17(18)14-19(22)20(23)21-24/h3-13,19,24H,2,14-15H2,1H3,(H,21,23)/b13-12+
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n/an/a 910n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109612
PNG
((2-Fluoro-phenyl)-(3-hydroxycarbamoyl-3,4-dihydro-...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccccc1F
Show InChI InChI=1S/C18H20FN2O4P/c1-2-25-26(24,17-10-6-5-9-15(17)19)21-12-14-8-4-3-7-13(14)11-16(21)18(22)20-23/h3-10,16,23H,2,11-12H2,1H3,(H,20,22)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109615
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCN(CC)CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C23H32N3O5P/c1-4-25(5-2)14-15-31-32(29,21-12-10-20(30-3)11-13-21)26-17-19-9-7-6-8-18(19)16-22(26)23(27)24-28/h6-13,22,28H,4-5,14-17H2,1-3H3,(H,24,27)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109622
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCC1CCCCC1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C24H31N2O5P/c1-30-21-11-13-22(14-12-21)32(29,31-17-18-7-3-2-4-8-18)26-16-20-10-6-5-9-19(20)15-23(26)24(27)25-28/h5-6,9-14,18,23,28H,2-4,7-8,15-17H2,1H3,(H,25,27)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109639
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCCCCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(OC)cc1
Show InChI InChI=1S/C23H31N2O5P/c1-3-4-5-8-15-30-31(28,21-13-11-20(29-2)12-14-21)25-17-19-10-7-6-9-18(19)16-22(25)23(26)24-27/h6-7,9-14,22,27H,3-5,8,15-17H2,1-2H3,(H,24,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109621
PNG
(CHEMBL425316 | [4-(4-Amino-phenoxy)-phenyl]-(3-hyd...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C24H26N3O5P/c1-2-31-33(30,22-13-11-21(12-14-22)32-20-9-7-19(25)8-10-20)27-16-18-6-4-3-5-17(18)15-23(27)24(28)26-29/h3-14,23,29H,2,15-16,25H2,1H3,(H,26,28)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109636
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(C)cc1
Show InChI InChI=1S/C19H23N2O4P/c1-3-25-26(24,17-10-8-14(2)9-11-17)21-13-16-7-5-4-6-15(16)12-18(21)19(22)20-23/h4-11,18,23H,3,12-13H2,1-2H3,(H,20,22)
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n/an/a 1.89E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109626
PNG
(Biphenyl-4-yl-(3-hydroxycarbamoyl-3,4-dihydro-1H-i...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H25N2O4P/c1-2-30-31(29,22-14-12-19(13-15-22)18-8-4-3-5-9-18)26-17-21-11-7-6-10-20(21)16-23(26)24(27)25-28/h3-15,23,28H,2,16-17H2,1H3,(H,25,27)
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n/an/a 1.96E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109620
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OC(C)C)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C20H25N2O5P/c1-14(2)27-28(25,18-10-8-17(26-3)9-11-18)22-13-16-7-5-4-6-15(16)12-19(22)20(23)21-24/h4-11,14,19,24H,12-13H2,1-3H3,(H,21,23)
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n/an/a 2.24E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109638
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCOP(=O)(N1Cc2ccccc2CC1C(=O)NO)c1ccncc1
Show InChI InChI=1S/C17H20N3O4P/c1-2-24-25(23,15-7-9-18-10-8-15)20-12-14-6-4-3-5-13(14)11-16(20)17(21)19-22/h3-10,16,22H,2,11-12H2,1H3,(H,19,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM379557
PNG
(US9926281, Compound 36)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CCC1(NC(=O)NC1=O)C1CC1
Show InChI InChI=1S/C20H25ClN4O3/c1-13-2-5-15(21)12-16(13)24-8-10-25(11-9-24)17(26)6-7-20(14-3-4-14)18(27)22-19(28)23-20/h2,5,12,14H,3-4,6-11H2,1H3,(H2,22,23,27,28)
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n/an/a>3.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ADAM-9 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM113589
PNG
(US8633196, 19 | US9365529, 19)
Show SMILES CCN1CCN(CC1)[C@@H](CNS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Show InChI InChI=1S/C26H33N5O5S/c1-3-30-12-14-31(15-13-30)25(26(32)29-33)17-27-37(34,35)22-10-8-21(9-11-22)36-18-20-16-19(2)28-24-7-5-4-6-23(20)24/h4-11,16,25,27,33H,3,12-15,17-18H2,1-2H3,(H,29,32)/t25-/m0/s1
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US Patent
n/an/a 3.05E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVLOPMENT

US Patent


Assay Description
The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...


US Patent US9365529 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DC8
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109618
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C25H27N2O5P/c1-31-22-11-13-23(14-12-22)33(30,32-16-15-19-7-3-2-4-8-19)27-18-21-10-6-5-9-20(21)17-24(27)25(28)26-29/h2-14,24,29H,15-18H2,1H3,(H,26,28)
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n/an/a 3.11E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM175076
PNG
(US9115102, Ex2)
Show SMILES CC#CCOc1ccc(cc1)C(=O)NC[C@H](N1CCN(CC1)S(C)(=O)=O)C(=O)NO
Show InChI InChI=1S/C19H26N4O6S/c1-3-4-13-29-16-7-5-15(6-8-16)18(24)20-14-17(19(25)21-26)22-9-11-23(12-10-22)30(2,27)28/h5-8,17,26H,9-14H2,1-2H3,(H,20,24)(H,21,25)/t17-/m0/s1
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n/an/a 3.25E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50109617
PNG
((3-Hydroxycarbamoyl-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1ccc(cc1)P(=O)(OCCc1ccc(cc1)-c1ccccc1)N1Cc2ccccc2CC1C(=O)NO
Show InChI InChI=1S/C31H31N2O5P/c1-37-28-15-17-29(18-16-28)39(36,33-22-27-10-6-5-9-26(27)21-30(33)31(34)32-35)38-20-19-23-11-13-25(14-12-23)24-7-3-2-4-8-24/h2-18,30,35H,19-22H2,1H3,(H,32,34)
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n/an/a 3.56E+3n/an/an/an/an/an/a



Nippon Organon K.K.

Curated by ChEMBL


Assay Description
Inhibition of the heparin binding epidermal growth factor (HB-EGF) release from fibrosarcoma HT1080 transfectants expressing alkaline phosphate (AP) ...


J Med Chem 45: 919-29 (2002)


BindingDB Entry DOI: 10.7270/Q2XK8G9Q
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50203527
PNG
((6S,7S)-methyl 7-(hydroxycarbamoyl)-6-(4-phenyl-1,...)
Show SMILES COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCC(=CC1)c1ccccc1)C(=O)NO |r,c:19|
Show InChI InChI=1S/C22H27N3O5/c1-30-21(28)25-14-22(9-10-22)13-17(19(26)23-29)18(25)20(27)24-11-7-16(8-12-24)15-5-3-2-4-6-15/h2-7,17-18,29H,8-14H2,1H3,(H,23,26)/t17-,18-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAM9


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50265157
PNG
((6S,7S)-N-hydroxy-5-methyl-6-(4-(5-(trifluoromethy...)
Show SMILES CN1CC2(CC2)C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NO |r|
Show InChI InChI=1S/C20H26F3N5O3/c1-26-12-19(4-5-19)10-14(17(29)25-31)16(26)18(30)28-8-6-27(7-9-28)15-3-2-13(11-24-15)20(21,22)23/h2-3,11,14,16,31H,4-10,12H2,1H3,(H,25,29)/t14-,16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAM9


Bioorg Med Chem 16: 8781-94 (2008)


Article DOI: 10.1016/j.bmc.2008.08.058
BindingDB Entry DOI: 10.7270/Q2JD4WM2
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50575718
PNG
(CHEMBL4873384)
Show SMILES Clc1cc(Cl)cc(c1)N1CCN(CC1)C(=O)CC[C@H]1NC(=O)NC1=O |r|
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n/an/a 8.45E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ADAM-9 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02008
BindingDB Entry DOI: 10.7270/Q21R6VBM
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM113588
PNG
(US8633196, 18 | US9365529, 18)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)NC[C@H](N2CCN(Cc3ccc(F)cc3)CC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C31H34FN5O5S/c1-22-18-24(28-4-2-3-5-29(28)34-22)21-42-26-10-12-27(13-11-26)43(40,41)33-19-30(31(38)35-39)37-16-14-36(15-17-37)20-23-6-8-25(32)9-7-23/h2-13,18,30,33,39H,14-17,19-21H2,1H3,(H,35,38)/t30-/m0/s1
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n/an/a 9.25E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVLOPMENT

US Patent


Assay Description
The molecules are dose-response tested on the following enzymes: MMP1, MMP3, MMP9, ADAM9 and ADAM10, according to the same protocol as that described...


US Patent US9365529 (2016)


BindingDB Entry DOI: 10.7270/Q29W0DC8
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM50236675
PNG
(CHEMBL4102106)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N2CCN(C(C2)C(=O)NO)C(=O)C(C)(C)C)c2CCCCc2n1
Show InChI InChI=1S/C27H36N4O6S/c1-18-15-19(22-7-5-6-8-23(22)28-18)17-37-20-9-11-21(12-10-20)38(35,36)30-13-14-31(26(33)27(2,3)4)24(16-30)25(32)29-34/h9-12,15,24,34H,5-8,13-14,16-17H2,1-4H3,(H,29,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of ADAM9 (unknown origin)


Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM175083
PNG
(US9115102, Ex14 | US9115102, Ex24)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H31N5O6S/c1-18-15-20(22-5-3-4-6-23(22)28-18)17-37-21-9-7-19(8-10-21)25(32)27-16-24(26(33)29-34)30-11-13-31(14-12-30)38(2,35)36/h3-10,15,24,34H,11-14,16-17H2,1-2H3,(H,27,32)(H,29,33)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM175093
PNG
(US9115102, Ex27)
Show SMILES ONC(=O)C(CNC(=O)c1ccc(OCc2c(nn3ccccc23)C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H31F3N6O4/c31-30(32,33)27-24(25-8-4-5-13-39(25)35-27)20-43-23-11-9-22(10-12-23)28(40)34-18-26(29(41)36-42)38-16-14-37(15-17-38)19-21-6-2-1-3-7-21/h1-13,26,42H,14-20H2,(H,34,40)(H,36,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAMS and ADAM10 according to the same protocol as that ...


US Patent US9115102 (2015)


BindingDB Entry DOI: 10.7270/Q21V5CRV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 9


(Homo sapiens (Human))
BDBM207964
PNG
(US9266848, 2)
Show SMILES Cc1cc(COc2ccc(cc2)C(=O)NC[C@H](N2CCCCC2)C(=O)NO)c2ccccc2n1
Show InChI InChI=1S/C26H30N4O4/c1-18-15-20(22-7-3-4-8-23(22)28-18)17-34-21-11-9-19(10-12-21)25(31)27-16-24(26(32)29-33)30-13-5-2-6-14-30/h3-4,7-12,15,24,33H,2,5-6,13-14,16-17H2,1H3,(H,27,31)(H,29,32)/t24-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The molecules are tested in dose-response studies on the following enzymes MMP1, MMP3, MMP9, ADAM9 and ADAM10 according to the same protocol as that ...


US Patent US9266848 (2016)


BindingDB Entry DOI: 10.7270/Q2TM78ZS
More data for this
Ligand-Target Pair
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