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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'akizawa' and Initial = 't'   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067543
PNG
(CHEMBL3402046)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(29-15-19-41-106)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1
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n/an/a 148n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067549
PNG
(CHEMBL3402052)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C83H144N30O23/c1-42(86)66(121)103-54(26-17-35-96-82(90)91)72(127)112-65(47(6)117)78(133)107-52(24-12-15-33-94-57-38-49(57)48-20-8-7-9-21-48)69(124)106-55(29-30-60(87)118)73(128)111-64(46(5)116)77(132)100-43(2)67(122)104-53(25-16-34-95-81(88)89)70(125)105-51(23-11-14-32-85)71(126)109-58(41-114)74(129)110-63(45(4)115)76(131)99-39-61(119)98-40-62(120)102-50(22-10-13-31-84)68(123)101-44(3)79(134)113-37-19-28-59(113)75(130)108-56(80(135)136)27-18-36-97-83(92)93/h7-9,20-21,42-47,49-59,63-65,94,114-117H,10-19,22-41,84-86H2,1-6H3,(H2,87,118)(H,98,119)(H,99,131)(H,100,132)(H,101,123)(H,102,120)(H,103,121)(H,104,122)(H,105,125)(H,106,124)(H,107,133)(H,108,130)(H,109,126)(H,110,129)(H,111,128)(H,112,127)(H,135,136)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t42-,43+,44+,45+,46+,47+,49?,50+,51+,52+,53+,54+,55+,56+,57?,58+,59+,63+,64+,65+/m1/s1
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n/an/a 158n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067544
PNG
(CHEMBL3402047)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(26-12-16-38-101)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(27-13-17-42-133-43-18-19-44-133)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1
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n/an/a 223n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067546
PNG
(CHEMBL3402049)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(29-15-19-41-106)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1
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n/an/a 283n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067551
PNG
(CHEMBL3402053)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1
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n/an/a 356n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140044
PNG
(CHEMBL3764353)
Show SMILES Clc1ccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C35H36ClN3O2/c36-30-20-14-25(15-21-30)24-38-35(41)32(13-7-8-22-37-33-23-31(33)28-11-5-2-6-12-28)39-34(40)29-18-16-27(17-19-29)26-9-3-1-4-10-26/h1-6,9-12,14-21,31-33,37H,7-8,13,22-24H2,(H,38,41)(H,39,40)/t31?,32-,33?/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067555
PNG
(CHEMBL3402054)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C52H90N18O13/c1-27(54)42(74)64-35(19-13-25-62-52(58)59)46(78)70-41(30(4)72)49(81)67-33(16-9-11-23-60-38-26-32(38)31-14-6-5-7-15-31)44(76)66-36(20-21-39(55)73)47(79)69-40(29(3)71)48(80)63-28(2)43(75)65-34(18-12-24-61-51(56)57)45(77)68-37(50(82)83)17-8-10-22-53/h5-7,14-15,27-30,32-38,40-41,60,71-72H,8-13,16-26,53-54H2,1-4H3,(H2,55,73)(H,63,80)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,78)(H,82,83)(H4,56,57,61)(H4,58,59,62)/t27-,28+,29+,30+,32?,33+,34+,35+,36+,37+,38?,40+,41+/m1/s1
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n/an/a 443n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140043
PNG
(CHEMBL3765529)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H37N3O2/c39-34(30-21-19-28(20-22-30)27-14-6-2-7-15-27)38-32(35(40)37-25-26-12-4-1-5-13-26)18-10-11-23-36-33-24-31(33)29-16-8-3-9-17-29/h1-9,12-17,19-22,31-33,36H,10-11,18,23-25H2,(H,37,40)(H,38,39)/t31?,32-,33?/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50140045
PNG
(CHEMBL3764836)
Show SMILES FC(F)(F)c1cccc(CNC(=O)[C@H](CCCCNC2CC2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C36H36F3N3O2/c37-36(38,39)30-15-9-10-25(22-30)24-41-35(44)32(16-7-8-21-40-33-23-31(33)28-13-5-2-6-14-28)42-34(43)29-19-17-27(18-20-29)26-11-3-1-4-12-26/h1-6,9-15,17-20,22,31-33,40H,7-8,16,21,23-24H2,(H,41,44)(H,42,43)/t31?,32-,33?/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296234
PNG
((-)-epigallocatechin-3-(3''-O-methyl)gallate | (2R...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445336
PNG
(CHEMBL1797639)
Show SMILES NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23?,24?,25-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296238
PNG
((2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)ch...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296237
PNG
((2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296238
PNG
((2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)ch...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22+/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 7.87E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOA using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296234
PNG
((-)-epigallocatechin-3-(3''-O-methyl)gallate | (2R...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067587
PNG
(CHEMBL3402055)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C33H54N10O8/c1-18(34)28(46)40-23(12-8-16-39-33(36)37)30(48)43-27(19(2)44)31(49)41-22(29(47)42-24(32(50)51)13-14-26(35)45)11-6-7-15-38-25-17-21(25)20-9-4-3-5-10-20/h3-5,9-10,18-19,21-25,27,38,44H,6-8,11-17,34H2,1-2H3,(H2,35,45)(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)(H4,36,37,39)/t18-,19+,21?,22+,23+,24+,25?,27+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296239
PNG
((2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)ch...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21+/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067545
PNG
(CHEMBL3402048)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(27-13-17-39-102)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(28-14-20-45-134-43-18-10-19-44-134)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296235
PNG
((-)-Epigallocatechin-3-(4''-O-methyl)gallate | (2R...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296236
PNG
((2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296235
PNG
((-)-Epigallocatechin-3-(4''-O-methyl)gallate | (2R...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1
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n/an/a 1.87E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296239
PNG
((2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)ch...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21+/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50296238
PNG
((2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)ch...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22+/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50296234
PNG
((-)-epigallocatechin-3-(3''-O-methyl)gallate | (2R...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-18-5-10(4-16(28)21(18)30)23(31)34-19-8-12-13(25)6-11(24)7-17(12)33-22(19)9-2-14(26)20(29)15(27)3-9/h2-7,19,22,24-30H,8H2,1H3/t19-,22-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 2.15E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296241
PNG
((2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
BDBM50445336
PNG
(CHEMBL1797639)
Show SMILES NC1CC1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23?,24?,25-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD2 using H3K4 peptide as substrate assessed as decrease in H3K4 demethylation after 1 hr by mass spectroscopic anal...


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296240
PNG
((2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22+/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human LSD1 using H3K4 peptide as substrate by peroxidase-coupled assay


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50296239
PNG
((2S,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)ch...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21+/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296237
PNG
((2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50296240
PNG
((2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22+/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MT1-MMP expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
BDBM50121213
PNG
(CHEMBL3622371)
Show SMILES O=C(NCc1ccccc1)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c33-28(24-16-8-3-9-17-24)32-26(29(34)31-21-22-12-4-1-5-13-22)18-10-11-19-30-27-20-25(27)23-14-6-2-7-15-23/h1-9,12-17,25-27,30H,10-11,18-21H2,(H,31,34)(H,32,33)/t25?,26-,27?/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD2 using H3K4 peptide as substrate assessed as decrease in H3K4 demethylation after 1 hr by mass spectroscopic anal...


Bioorg Med Chem Lett 26: 1193-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.036
BindingDB Entry DOI: 10.7270/Q2833TWV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50296235
PNG
((-)-Epigallocatechin-3-(4''-O-methyl)gallate | (2R...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C23H20O11/c1-32-22-16(28)4-10(5-17(22)29)23(31)34-19-8-12-13(25)6-11(24)7-18(12)33-21(19)9-2-14(26)20(30)15(27)3-9/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50067548
PNG
(CHEMBL3402051)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(28-14-20-45-134-43-18-10-19-44-134)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(27-13-17-39-102)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LSD1 assessed as effect on H2O2 production incubated for 30 mins using methylated peptide substrate, Amplex red reage...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50296236
PNG
((2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067551
PNG
(CHEMBL3402053)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)C(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C63H108N22O19/c1-31(65)51(94)77-41(20-14-26-73-63(69)70)56(99)85-50(35(5)89)61(104)81-39(18-10-12-24-71-43-27-37(43)36-15-7-6-8-16-36)53(96)80-42(21-22-45(66)90)57(100)84-49(34(4)88)60(103)76-32(2)52(95)78-40(19-13-25-72-62(67)68)54(97)79-38(17-9-11-23-64)55(98)82-44(30-86)58(101)83-48(33(3)87)59(102)75-28-46(91)74-29-47(92)93/h6-8,15-16,31-35,37-44,48-50,71,86-89H,9-14,17-30,64-65H2,1-5H3,(H2,66,90)(H,74,91)(H,75,102)(H,76,103)(H,77,94)(H,78,95)(H,79,97)(H,80,96)(H,81,104)(H,82,98)(H,83,101)(H,84,100)(H,85,99)(H,92,93)(H4,67,68,72)(H4,69,70,73)/t31-,32+,33+,34+,35+,37?,38+,39+,40+,41+,42+,43?,44+,48+,49+,50+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067555
PNG
(CHEMBL3402054)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C52H90N18O13/c1-27(54)42(74)64-35(19-13-25-62-52(58)59)46(78)70-41(30(4)72)49(81)67-33(16-9-11-23-60-38-26-32(38)31-14-6-5-7-15-31)44(76)66-36(20-21-39(55)73)47(79)69-40(29(3)71)48(80)63-28(2)43(75)65-34(18-12-24-61-51(56)57)45(77)68-37(50(82)83)17-8-10-22-53/h5-7,14-15,27-30,32-38,40-41,60,71-72H,8-13,16-26,53-54H2,1-4H3,(H2,55,73)(H,63,80)(H,64,74)(H,65,75)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,78)(H,82,83)(H4,56,57,61)(H4,58,59,62)/t27-,28+,29+,30+,32?,33+,34+,35+,36+,37+,38?,40+,41+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067587
PNG
(CHEMBL3402055)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CCCCNC1CC1c1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C33H54N10O8/c1-18(34)28(46)40-23(12-8-16-39-33(36)37)30(48)43-27(19(2)44)31(49)41-22(29(47)42-24(32(50)51)13-14-26(35)45)11-6-7-15-38-25-17-21(25)20-9-4-3-5-10-20/h3-5,9-10,18-19,21-25,27,38,44H,6-8,11-17,34H2,1-2H3,(H2,35,45)(H,40,46)(H,41,49)(H,42,47)(H,43,48)(H,50,51)(H4,36,37,39)/t18-,19+,21?,22+,23+,24+,25?,27+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50296236
PNG
((2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1cc(cc(O)c1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50296237
PNG
((2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychrom...)
Show SMILES COc1c(O)cc(cc1O)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C23H20O10/c1-31-22-17(28)5-11(6-18(22)29)23(30)33-20-9-13-15(26)7-12(24)8-19(13)32-21(20)10-2-3-14(25)16(27)4-10/h2-8,20-21,24-29H,9H2,1H3/t20-,21-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Shizuoka and Global COE Program

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 expressed in Escherichia coli by fluorogenic peptide cleavage assay


Bioorg Med Chem Lett 19: 4171-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.111
BindingDB Entry DOI: 10.7270/Q2M61K88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067548
PNG
(CHEMBL3402051)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(28-14-20-45-134-43-18-10-19-44-134)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(27-13-17-39-102)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067547
PNG
(CHEMBL3402050)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN1CC=CC1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C98H176N36O28/c1-50(2)46-67(88(154)118-54(6)95(161)162)128-85(151)65(32-34-70(103)139)124-80(146)59(25-11-15-37-100)122-83(149)63(29-21-40-112-97(107)108)126-90(156)69-31-23-45-134(69)94(160)53(5)117-79(145)58(24-10-14-36-99)119-73(142)48-114-72(141)47-115-91(157)74(55(7)136)130-89(155)68(49-135)129-84(150)60(27-13-17-42-133-43-18-19-44-133)123-82(148)62(28-20-39-111-96(105)106)121-78(144)52(4)116-92(158)75(56(8)137)131-87(153)66(33-35-71(104)140)125-81(147)61(26-12-16-38-101)127-93(159)76(57(9)138)132-86(152)64(120-77(143)51(3)102)30-22-41-113-98(109)110/h18-19,50-69,74-76,135-138H,10-17,20-49,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,114,141)(H,115,157)(H,116,158)(H,117,145)(H,118,154)(H,119,142)(H,120,143)(H,121,144)(H,122,149)(H,123,148)(H,124,146)(H,125,147)(H,126,156)(H,127,159)(H,128,151)(H,129,150)(H,130,155)(H,131,153)(H,132,152)(H,161,162)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t51-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,74+,75+,76+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067546
PNG
(CHEMBL3402049)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC1CC1c1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C103H180N36O28/c1-52(2)47-72(93(159)124-56(6)100(166)167)134-90(156)69(35-37-75(108)144)130-85(151)63(28-14-18-40-105)128-88(154)67(32-22-44-118-102(112)113)132-95(161)74-34-24-46-139(74)99(165)55(5)123-84(150)62(27-13-17-39-104)125-78(147)50-120-77(146)49-121-96(162)79(57(7)141)136-94(160)73(51-140)135-89(155)64(30-16-20-42-116-71-48-61(71)60-25-11-10-12-26-60)129-87(153)66(31-21-43-117-101(110)111)127-83(149)54(4)122-97(163)80(58(8)142)137-92(158)70(36-38-76(109)145)131-86(152)65(29-15-19-41-106)133-98(164)81(59(9)143)138-91(157)68(126-82(148)53(3)107)33-23-45-119-103(114)115/h10-12,25-26,52-59,61-74,79-81,116,140-143H,13-24,27-51,104-107H2,1-9H3,(H2,108,144)(H2,109,145)(H,120,146)(H,121,162)(H,122,163)(H,123,150)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,128,154)(H,129,153)(H,130,151)(H,131,152)(H,132,161)(H,133,164)(H,134,156)(H,135,155)(H,136,160)(H,137,158)(H,138,157)(H,166,167)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t53-,54+,55+,56+,57+,58+,59+,61?,62+,63+,64+,65+,66+,67+,68+,69+,70+,71?,72+,73+,74+,79+,80+,81+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50067545
PNG
(CHEMBL3402048)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN1CCC=CC1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)N)[C@H](C)O)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C99H178N36O28/c1-51(2)47-68(89(155)119-55(6)96(162)163)129-86(152)66(33-35-71(104)140)125-81(147)60(26-12-16-38-101)123-84(150)64(30-22-41-113-98(108)109)127-91(157)70-32-24-46-135(70)95(161)54(5)118-80(146)59(25-11-15-37-100)120-74(143)49-115-73(142)48-116-92(158)75(56(7)137)131-90(156)69(50-136)130-85(151)61(27-13-17-39-102)124-83(149)63(29-21-40-112-97(106)107)122-79(145)53(4)117-93(159)76(57(8)138)132-88(154)67(34-36-72(105)141)126-82(148)62(28-14-20-45-134-43-18-10-19-44-134)128-94(160)77(58(9)139)133-87(153)65(121-78(144)52(3)103)31-23-42-114-99(110)111/h10,18,51-70,75-77,136-139H,11-17,19-50,100-103H2,1-9H3,(H2,104,140)(H2,105,141)(H,115,142)(H,116,158)(H,117,159)(H,118,146)(H,119,155)(H,120,143)(H,121,144)(H,122,145)(H,123,150)(H,124,149)(H,125,147)(H,126,148)(H,127,157)(H,128,160)(H,129,152)(H,130,151)(H,131,156)(H,132,154)(H,133,153)(H,162,163)(H4,106,107,112)(H4,108,109,113)(H4,110,111,114)/t52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,75+,76+,77+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Inhibition of human MAOB using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid substrate incubated for 60 mins by luciferin de...


Bioorg Med Chem Lett 25: 1925-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.030
BindingDB Entry DOI: 10.7270/Q2QC056P
More data for this
Ligand-Target Pair
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