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176 similar compounds to monomer 50175583

Compile data set for download or QSAR
Wt: 2562.6
BDBM50004745
Wt: 2576.6
BDBM50004744
Wt: 2548.6
BDBM50004739
Wt: 2534.6
BDBM50004738
Wt: 355.4
BDBM50003044
Wt: 334.3
BDBM50009339
Wt: 272.3
BDBM50009342
Wt: 259.2
BDBM50009344
Wt: 248.2
BDBM50009346
Wt: 248.2
BDBM50009347
Wt: 359.3
BDBM50009341
Wt: 542.5
BDBM50005528
Wt: 406.8
BDBM50005531
Purchase
Wt: 380.8
BDBM50005529
Purchase
Wt: 2199.4
BDBM50046556
Displayed 1 to 15 (of 164 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 54 hits for monomerid = 50004745,50004744,50004739,50004738,50003044,50009339,50009342,50009344,50009346,50009347,50009341,50005528,50005531,50005529,50046556   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50004744
PNG
(CHEMBL2370453 | Hirudin analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C115H162N28O40/c1-6-59(4)96(113(181)143-45-17-24-83(143)111(179)132-70(35-41-92(157)158)100(168)129-69(34-40-91(155)156)101(169)135-75(48-63-27-29-65(146)30-28-63)105(173)134-73(46-58(2)3)103(171)133-72(114(182)183)32-38-86(117)149)141-102(170)71(36-42-93(159)160)130-99(167)68(33-39-90(153)154)131-104(172)74(47-61-18-9-7-10-19-61)136-108(176)79(53-95(163)164)127-89(152)55-123-97(165)78(52-94(161)162)139-107(175)77(51-87(118)150)138-106(174)76(50-64-54-121-57-124-64)137-109(177)81(56-144)140-98(166)67(31-37-85(116)148)126-88(151)26-14-13-25-84(147)66(22-15-43-122-115(119)120)128-110(178)82-23-16-44-142(82)112(180)80(125-60(5)145)49-62-20-11-8-12-21-62/h7-12,18-21,27-30,54,57-59,66-83,96,144,146H,6,13-17,22-26,31-53,55-56H2,1-5H3,(H2,116,148)(H2,117,149)(H2,118,150)(H,121,124)(H,123,165)(H,125,145)(H,126,151)(H,127,152)(H,128,178)(H,129,168)(H,130,167)(H,131,172)(H,132,179)(H,133,171)(H,134,173)(H,135,169)(H,136,176)(H,137,177)(H,138,174)(H,139,175)(H,140,166)(H,141,170)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,182,183)(H4,119,120,122)/t59-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,96-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc


J Med Chem 35: 3331-41 (1992)


Article DOI: 10.1021/jm00096a004
BindingDB Entry DOI: 10.7270/Q2FX78D9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50046556
PNG
(CHEMBL2370633 | Tyr-c(Glu-Ser-Lys-Pro-(D-Ala)-Arg-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C97H155N33O26/c1-8-49(5)75(90(151)124-66(42-72(101)136)85(146)122-64(38-48(3)4)86(147)127-76(50(6)9-2)91(152)129-77(51(7)132)92(153)120-60(19-14-36-111-97(106)107)81(142)119-61(29-31-71(100)135)83(144)118-59(18-13-35-110-96(104)105)82(143)125-67(94(155)156)40-53-23-27-56(134)28-24-53)128-87(148)68-44-112-79(140)65(41-54-43-108-47-114-54)123-80(141)58(17-12-34-109-95(102)103)115-74(138)45-113-89(150)70-20-15-37-130(70)93(154)63(16-10-11-33-98)121-88(149)69(46-131)126-84(145)62(30-32-73(137)116-68)117-78(139)57(99)39-52-21-25-55(133)26-22-52/h21-28,43,47-51,57-70,75-77,131-134H,8-20,29-42,44-46,98-99H2,1-7H3,(H2,100,135)(H2,101,136)(H,108,114)(H,112,140)(H,113,150)(H,115,138)(H,116,137)(H,117,139)(H,118,144)(H,119,142)(H,120,153)(H,121,149)(H,122,146)(H,123,141)(H,124,151)(H,125,143)(H,126,145)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y2 receptors using SK-N-BE2 human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50004739
PNG
(CHEMBL2370455 | Hirudin analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C113H158N28O40/c1-6-57(4)94(111(179)141-43-15-22-81(141)109(177)130-68(31-39-90(155)156)98(166)127-67(30-38-89(153)154)99(167)133-73(46-61-23-25-63(144)26-24-61)103(171)132-71(44-56(2)3)101(169)131-70(112(180)181)28-35-84(115)147)139-100(168)69(32-40-91(157)158)128-97(165)66(29-37-88(151)152)129-102(170)72(45-59-16-9-7-10-17-59)134-106(174)77(51-93(161)162)125-87(150)53-121-95(163)76(50-92(159)160)137-105(173)75(49-85(116)148)136-104(172)74(48-62-52-119-55-122-62)135-107(175)79(54-142)138-96(164)65(27-34-83(114)146)124-86(149)36-33-82(145)64(20-13-41-120-113(117)118)126-108(176)80-21-14-42-140(80)110(178)78(123-58(5)143)47-60-18-11-8-12-19-60/h7-12,16-19,23-26,52,55-57,64-81,94,142,144H,6,13-15,20-22,27-51,53-54H2,1-5H3,(H2,114,146)(H2,115,147)(H2,116,148)(H,119,122)(H,121,163)(H,123,143)(H,124,149)(H,125,150)(H,126,176)(H,127,166)(H,128,165)(H,129,170)(H,130,177)(H,131,169)(H,132,171)(H,133,167)(H,134,174)(H,135,175)(H,136,172)(H,137,173)(H,138,164)(H,139,168)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,180,181)(H4,117,118,120)/t57-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,94-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc


J Med Chem 35: 3331-41 (1992)


Article DOI: 10.1021/jm00096a004
BindingDB Entry DOI: 10.7270/Q2FX78D9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50004745
PNG
(CHEMBL2370450 | Hirudin analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C114H160N28O40/c1-6-58(4)95(112(180)142-44-16-23-82(142)110(178)131-69(34-40-91(156)157)99(167)128-68(33-39-90(154)155)100(168)134-74(47-62-26-28-64(145)29-27-62)104(172)133-72(45-57(2)3)102(170)132-71(113(181)182)31-37-85(116)148)140-101(169)70(35-41-92(158)159)129-98(166)67(32-38-89(152)153)130-103(171)73(46-60-17-9-7-10-18-60)135-107(175)78(52-94(162)163)126-88(151)54-122-96(164)77(51-93(160)161)138-106(174)76(50-86(117)149)137-105(173)75(49-63-53-120-56-123-63)136-108(176)80(55-143)139-97(165)66(30-36-84(115)147)125-87(150)25-13-24-83(146)65(21-14-42-121-114(118)119)127-109(177)81-22-15-43-141(81)111(179)79(124-59(5)144)48-61-19-11-8-12-20-61/h7-12,17-20,26-29,53,56-58,65-82,95,143,145H,6,13-16,21-25,30-52,54-55H2,1-5H3,(H2,115,147)(H2,116,148)(H2,117,149)(H,120,123)(H,122,164)(H,124,144)(H,125,150)(H,126,151)(H,127,177)(H,128,167)(H,129,166)(H,130,171)(H,131,178)(H,132,170)(H,133,172)(H,134,168)(H,135,175)(H,136,176)(H,137,173)(H,138,174)(H,139,165)(H,140,169)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,181,182)(H4,118,119,121)/t58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,95-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.560n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc


J Med Chem 35: 3331-41 (1992)


Article DOI: 10.1021/jm00096a004
BindingDB Entry DOI: 10.7270/Q2FX78D9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50004738
PNG
(CHEMBL2370451 | Hirudin analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C112H156N28O40/c1-6-56(4)93(110(178)140-41-15-22-80(140)108(176)129-67(31-37-89(154)155)97(165)126-66(30-36-88(152)153)98(166)132-72(44-60-23-25-62(143)26-24-60)102(170)131-70(42-55(2)3)100(168)130-69(111(179)180)28-34-83(114)146)138-99(167)68(32-38-90(156)157)127-96(164)65(29-35-87(150)151)128-101(169)71(43-58-16-9-7-10-17-58)133-105(173)76(49-92(160)161)124-86(149)52-120-94(162)75(48-91(158)159)136-104(172)74(47-84(115)147)135-103(171)73(46-61-51-118-54-121-61)134-106(174)78(53-141)137-95(163)64(27-33-82(113)145)123-85(148)50-81(144)63(20-13-39-119-112(116)117)125-107(175)79-21-14-40-139(79)109(177)77(122-57(5)142)45-59-18-11-8-12-19-59/h7-12,16-19,23-26,51,54-56,63-80,93,141,143H,6,13-15,20-22,27-50,52-53H2,1-5H3,(H2,113,145)(H2,114,146)(H2,115,147)(H,118,121)(H,120,162)(H,122,142)(H,123,148)(H,124,149)(H,125,175)(H,126,165)(H,127,164)(H,128,169)(H,129,176)(H,130,168)(H,131,170)(H,132,166)(H,133,173)(H,134,174)(H,135,171)(H,136,172)(H,137,163)(H,138,167)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,179,180)(H4,116,117,119)/t56-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,93-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



National Research Council of Canada

Curated by ChEMBL


Assay Description
Compound was evaluated for their ability to inhibit the alpha-thrombin-mediated hydrolysis of the fluorescent substrate Tos-Gly-Pro-Arg-Amc


J Med Chem 35: 3331-41 (1992)


Article DOI: 10.1021/jm00096a004
BindingDB Entry DOI: 10.7270/Q2FX78D9
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50046556
PNG
(CHEMBL2370633 | Tyr-c(Glu-Ser-Lys-Pro-(D-Ala)-Arg-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CNC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C97H155N33O26/c1-8-49(5)75(90(151)124-66(42-72(101)136)85(146)122-64(38-48(3)4)86(147)127-76(50(6)9-2)91(152)129-77(51(7)132)92(153)120-60(19-14-36-111-97(106)107)81(142)119-61(29-31-71(100)135)83(144)118-59(18-13-35-110-96(104)105)82(143)125-67(94(155)156)40-53-23-27-56(134)28-24-53)128-87(148)68-44-112-79(140)65(41-54-43-108-47-114-54)123-80(141)58(17-12-34-109-95(102)103)115-74(138)45-113-89(150)70-20-15-37-130(70)93(154)63(16-10-11-33-98)121-88(149)69(46-131)126-84(145)62(30-32-73(137)116-68)117-78(139)57(99)39-52-21-25-55(133)26-22-52/h21-28,43,47-51,57-70,75-77,131-134H,8-20,29-42,44-46,98-99H2,1-7H3,(H2,100,135)(H2,101,136)(H,108,114)(H,112,140)(H,113,150)(H,115,138)(H,116,137)(H,117,139)(H,118,144)(H,119,142)(H,120,153)(H,121,149)(H,122,146)(H,123,141)(H,124,151)(H,125,143)(H,126,145)(H,127,147)(H,128,148)(H,129,152)(H,155,156)(H4,102,103,109)(H4,104,105,110)(H4,106,107,111)/t49-,50-,51+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-,76-,77-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Salk Institute

Curated by ChEMBL


Assay Description
Tested against neuropeptide Y1 receptors using SK-N-MC human neuroblastoma cells


J Med Chem 36: 385-93 (1993)


Article DOI: 10.1021/jm00055a010
BindingDB Entry DOI: 10.7270/Q2WS8S96
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a>2.50E+4n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a 1.42E+4n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a 2.91E+4n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a 2.00E+3n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50003044
PNG
(CHEMBL3234225)
Show SMILES COC(=O)C(\CSc1nc2ccccc2o1)=C\c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO4S/c1-22-15-9-7-13(8-10-15)11-14(18(21)23-2)12-25-19-20-16-5-3-4-6-17(16)24-19/h3-11H,12H2,1-2H3/b14-11+
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n/an/a 4.76E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of COX2 (unknown origin) by colorimetric method


Bioorg Med Chem Lett 24: 1952-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.073
BindingDB Entry DOI: 10.7270/Q2RN39CS
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005528
PNG
(CHEMBL3234271 | CHEMBL344406)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1NC(\C(=C/c2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C1=O)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O6S2/c22-21(23,24)19-17(20(29)28(27-19)13-3-8-16(9-4-13)36(26,32)33)11-14-5-10-18(34-14)12-1-6-15(7-2-12)35(25,30)31/h1-11,19,27H,(H2,25,30,31)(H2,26,32,33)/b17-11+
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n/an/a 2.44E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005529
PNG
(CHEMBL3234272 | CHEMBL344025)
Show SMILES NC(=O)c1ccc(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)cc1
Show InChI InChI=1S/C21H17ClN2O3/c22-17-6-10-19(11-7-17)27-13-14-2-1-3-16(12-14)21(26)24-18-8-4-15(5-9-18)20(23)25/h1-12H,13H2,(H2,23,25)(H,24,26)
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n/an/a 1.68E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50005531
PNG
(CHEMBL141427 | CHEMBL3234273)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1
Show InChI InChI=1S/C18H15ClN2O5S/c19-15-3-1-2-4-16(15)25-11-13-7-10-17(26-13)18(22)21-12-5-8-14(9-6-12)27(20,23)24/h1-10H,11H2,(H,21,22)(H2,20,23,24)
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n/an/a 8.17E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human His6-tagged RORgamma ligand binding domain (262 to 507 aa) assessed as inhibition of SRC1-4 co-activator peptide recruit...


Eur J Med Chem 78: 431-41 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.065
BindingDB Entry DOI: 10.7270/Q2W66N9X
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009344
PNG
(CHEMBL3233563)
Show SMILES O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H13N5O2/c13-6-10-2-1-5-17(10)11(18)8-14-12(19)9-3-4-15-16-7-9/h3-4,7,10H,1-2,5,8H2,(H,14,19)/t10-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50009347
PNG
(CHEMBL3233566)
Show SMILES O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)8(17)5-12-10(18)9-13-6-14-15-9/h6-7H,1-3,5H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50009347
PNG
(CHEMBL3233566)
Show SMILES O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)8(17)5-12-10(18)9-13-6-14-15-9/h6-7H,1-3,5H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a 2.24E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a 2.91E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009344
PNG
(CHEMBL3233563)
Show SMILES O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H13N5O2/c13-6-10-2-1-5-17(10)11(18)8-14-12(19)9-3-4-15-16-7-9/h3-4,7,10H,1-2,5,8H2,(H,14,19)/t10-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009347
PNG
(CHEMBL3233566)
Show SMILES O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)8(17)5-12-10(18)9-13-6-14-15-9/h6-7H,1-3,5H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009344
PNG
(CHEMBL3233563)
Show SMILES O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H13N5O2/c13-6-10-2-1-5-17(10)11(18)8-14-12(19)9-3-4-15-16-7-9/h3-4,7,10H,1-2,5,8H2,(H,14,19)/t10-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009347
PNG
(CHEMBL3233566)
Show SMILES O=C(CNC(=O)c1ncn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)8(17)5-12-10(18)9-13-6-14-15-9/h6-7H,1-3,5H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50009344
PNG
(CHEMBL3233563)
Show SMILES O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H13N5O2/c13-6-10-2-1-5-17(10)11(18)8-14-12(19)9-3-4-15-16-7-9/h3-4,7,10H,1-2,5,8H2,(H,14,19)/t10-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50009342
PNG
(CHEMBL3233561 | US9346814, Cmpd No 34 Example 39)
Show SMILES O=C(Cc1ccncc1)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C14H16N4O2/c15-9-12-2-1-7-18(12)14(20)10-17-13(19)8-11-3-5-16-6-4-11/h3-6,12H,1-2,7-8,10H2,(H,17,19)/t12-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


J Med Chem 57: 3053-74 (2014)


Article DOI: 10.1021/jm500031w
BindingDB Entry DOI: 10.7270/Q2P84DFW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009341
PNG
(CHEMBL3233560 | US9346814, Cmpd No 16 Example 20)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50009339
PNG
(CHEMBL3233558 | US9346814, Cmpd No 14 Example 18)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
Fibroblast activation protein (FAP)


(Mus musculus (Mouse))
BDBM50009346
PNG
(CHEMBL3233565 | US9346814, Cmpd No 36 Example 41)
Show SMILES O=C(CNC(=O)c1cnn[nH]1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C10H12N6O2/c11-4-7-2-1-3-16(7)9(17)6-12-10(18)8-5-13-15-14-8/h5,7H,1-3,6H2,(H,12,18)(H,13,14,15)/t7-/m0/s1
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UniProtKB/SwissProt

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PC cid
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UniChem

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US Patent
n/an/a 5.70E+3n/an/an/an/a8.337



Universiteit Antwerp; Fox Chase Cancer Center

US Patent


Assay Description
Enzyme activities were determined kinetically in a final volume of 200 μl for 10 minutes at 37° C. by measuring the initial velocities of pNA ...


US Patent US9346814 (2016)


BindingDB Entry DOI: 10.7270/Q2W37V6D
More data for this
Ligand-Target Pair
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