Found 1141 hits with Last Name = 'o''connor' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324510
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-13-4-3-5-16(28-13)10-27-11-21(32)20-12-31-22(17-7-6-15(24)8-19(17)25)18(9-26)14(2)29-23(31)30-20/h3-8,12,27H,9-11,26H2,1-2H3 | PDB
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| CHEMBL
PC cid
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| Article
PubMed
| 0.0860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324512
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31) | PDB
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| CHEMBL
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| Article
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324523
(CHEMBL1215018 | N-((3S)-1-(6-(aminomethyl)-5-(2,4-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CC[C@@H](C1)NS(C)(=O)=O |r,wD:25.30,(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.88,-10.46,;-2.12,-11.36,;-3.37,-10.46,;-2.89,-8.99,;-4.91,-10.48,;-5.99,-9.37,;-7.4,-10.02,;-6.68,-7.99,;-4.84,-8.35,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-11-15(8-23)18(14-4-3-12(21)7-16(14)22)28-10-17(25-20(28)24-11)19(29)27-6-5-13(9-27)26-32(2,30)31/h3-4,7,10,13,26H,5-6,8-9,23H2,1-2H3/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324512
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31) | PDB
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324510
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES Cc1cccc(CNCC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n1 |(-4.59,-8.35,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,;-1.62,-5.59,;-.08,-5.54,;.65,-4.18,;2.19,-4.14,;2.92,-2.78,;2.11,-1.48,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;9.45,-1.81,;10.76,-1,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;-2.34,-6.93,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-13-4-3-5-16(28-13)10-27-11-21(32)20-12-31-22(17-7-6-15(24)8-19(17)25)18(9-26)14(2)29-23(31)30-20/h3-8,12,27H,9-11,26H2,1-2H3 | PDB
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324511
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.94,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.32,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324525
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(CCS(C)(=O)=O)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(2.96,-5.01,;2.15,-3.7,;.61,-3.75,;-.19,-2.43,;-1.73,-2.48,;-2.54,-1.17,;-3.23,-2.88,;-1.74,-4.02,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.91,;10.83,-3.64,;12.13,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.25,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,)| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25(2)6-7-30(3,28)29/h4-5,8,10H,6-7,9,22H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324500
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.9,-13.73,;4.13,-12.4,;2.59,-12.4,;1.82,-13.73,;.28,-13.72,;-.49,-15.05,;.28,-16.39,;1.83,-16.4,;2.59,-15.06,;4.91,-11.07,;4.14,-9.74,;6.44,-11.06,;7.34,-12.29,;8.8,-11.82,;10.13,-12.59,;11.47,-11.82,;12.8,-12.6,;14.14,-11.85,;11.46,-10.28,;12.8,-9.51,;10.13,-9.51,;8.8,-10.28,;7.34,-9.8,;10.13,-14.13,;8.79,-14.9,;8.8,-16.44,;10.13,-17.21,;10.14,-18.75,;11.45,-16.44,;11.45,-14.9,;12.8,-14.11,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50197025
(CHEMBL439904 | PYY(3-36))Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C180H279N53O54/c1-17-91(12)141(185)171(282)214-114(27-18-19-61-181)175(286)232-67-25-33-130(232)169(280)211-111(53-58-137(247)248)147(258)204-94(15)174(285)231-66-24-32-129(231)168(279)200-82-135(244)205-109(52-57-136(245)246)152(263)226-126(80-140(253)254)157(268)203-93(14)146(257)228-128(84-235)176(287)233-68-26-34-131(233)170(281)212-113(55-60-139(251)252)154(265)210-112(54-59-138(249)250)155(266)216-117(70-87(4)5)159(270)224-124(78-133(183)242)164(275)208-106(29-21-63-197-178(189)190)150(261)220-121(75-98-39-47-103(239)48-40-98)162(273)221-120(74-97-37-45-102(238)46-38-97)156(267)202-92(13)145(256)227-127(83-234)167(278)219-116(69-86(2)3)158(269)207-107(30-22-64-198-179(191)192)151(262)223-123(77-100-81-195-85-201-100)163(274)222-122(76-99-41-49-104(240)50-42-99)161(272)217-118(71-88(6)7)160(271)225-125(79-134(184)243)165(276)218-119(72-89(8)9)166(277)229-142(90(10)11)172(283)230-143(95(16)236)173(284)213-108(31-23-65-199-180(193)194)148(259)209-110(51-56-132(182)241)153(264)206-105(28-20-62-196-177(187)188)149(260)215-115(144(186)255)73-96-35-43-101(237)44-36-96/h35-50,81,85-95,105-131,141-143,234-240H,17-34,51-80,82-84,181,185H2,1-16H3,(H2,182,241)(H2,183,242)(H2,184,243)(H2,186,255)(H,195,201)(H,200,279)(H,202,267)(H,203,268)(H,204,258)(H,205,244)(H,206,264)(H,207,269)(H,208,275)(H,209,259)(H,210,265)(H,211,280)(H,212,281)(H,213,284)(H,214,282)(H,215,260)(H,216,266)(H,217,272)(H,218,276)(H,219,278)(H,220,261)(H,221,273)(H,222,274)(H,223,262)(H,224,270)(H,225,271)(H,226,263)(H,227,256)(H,228,257)(H,229,277)(H,230,283)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,187,188,196)(H4,189,190,197)(H4,191,192,198)(H4,193,194,199)/t91-,92-,93-,94-,95+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,141-,142-,143-/m0/s1 | PDB
Reactome pathway
KEGG
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PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of human [125I]PYY from NPY2 receptor expressed in human KAN-TS cells |
Bioorg Med Chem Lett 17: 538-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.007
BindingDB Entry DOI: 10.7270/Q2959H6F |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324524
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(C)(=O)=O |(11.6,.54,;10.29,-.27,;8.93,.44,;7.63,-.37,;6.16,.07,;5.29,-1.2,;6.24,-2.42,;7.68,-1.9,;9.03,-2.63,;10.34,-1.82,;11.7,-2.54,;13.01,-1.73,;9,-4.16,;7.65,-4.9,;7.62,-6.44,;8.94,-7.24,;8.91,-8.78,;10.29,-6.48,;10.32,-4.95,;11.66,-4.21,;3.75,-1.24,;2.94,.06,;3.02,-2.6,;3.82,-3.91,;3.09,-5.26,;1.55,-5.3,;.75,-3.99,;1.48,-2.64,;.82,-6.65,;-.72,-6.7,;.4,-8.14,;2.15,-7.42,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-12-15(10-23)18(14-4-3-13(21)9-16(14)22)28-11-17(25-20(28)24-12)19(29)26-5-7-27(8-6-26)32(2,30)31/h3-4,9,11H,5-8,10,23H2,1-2H3 | PDB
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| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Ovis aries) | BDBM50222885
(6-(4-fluorophenoxy)-3-[(1-isopropylpiperidin-3-yl)...)Show SMILES CC(C)N1CCCC(Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 |w:7.7| Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3 | PDB
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| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay |
J Med Chem 50: 5202-16 (2007)
Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324524
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(C)(=O)=O |(11.6,.54,;10.29,-.27,;8.93,.44,;7.63,-.37,;6.16,.07,;5.29,-1.2,;6.24,-2.42,;7.68,-1.9,;9.03,-2.63,;10.34,-1.82,;11.7,-2.54,;13.01,-1.73,;9,-4.16,;7.65,-4.9,;7.62,-6.44,;8.94,-7.24,;8.91,-8.78,;10.29,-6.48,;10.32,-4.95,;11.66,-4.21,;3.75,-1.24,;2.94,.06,;3.02,-2.6,;3.82,-3.91,;3.09,-5.26,;1.55,-5.3,;.75,-3.99,;1.48,-2.64,;.82,-6.65,;-.72,-6.7,;.4,-8.14,;2.15,-7.42,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-12-15(10-23)18(14-4-3-13(21)9-16(14)22)28-11-17(25-20(28)24-12)19(29)26-5-7-27(8-6-26)32(2,30)31/h3-4,9,11H,5-8,10,23H2,1-2H3 | PDB
MMDB
Reactome pathway
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324504
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(CCc1ccccn1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.39,-9.52,;6.58,-8.21,;5.04,-8.26,;4.23,-6.94,;2.69,-6.99,;1.89,-5.67,;.35,-5.72,;-.38,-7.08,;.44,-8.4,;1.97,-8.34,;7.3,-6.85,;6.49,-5.54,;8.85,-6.8,;9.79,-8.02,;11.23,-7.5,;12.59,-8.23,;13.89,-7.42,;15.25,-8.15,;16.56,-7.34,;13.85,-5.88,;15.15,-5.06,;12.48,-5.16,;11.19,-5.97,;9.71,-5.54,;12.55,-9.76,;11.2,-10.5,;11.17,-12.04,;12.49,-12.84,;12.58,-14.44,;13.85,-12.09,;13.87,-10.56,;15.21,-9.81,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3 | PDB
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324513
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccncc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.42,-4.28,;-3.96,-4.32,;-4.69,-5.68,;-3.87,-6.99,;-2.34,-6.94,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-3-2-15(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-6-14-4-7-26-8-5-14/h2-5,7-8,10,12H,6,9,11,25H2,1H3,(H,27,31) | PDB
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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324500
(1-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES CN(Cc1cccnc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.9,-13.73,;4.13,-12.4,;2.59,-12.4,;1.82,-13.73,;.28,-13.72,;-.49,-15.05,;.28,-16.39,;1.83,-16.4,;2.59,-15.06,;4.91,-11.07,;4.14,-9.74,;6.44,-11.06,;7.34,-12.29,;8.8,-11.82,;10.13,-12.59,;11.47,-11.82,;12.8,-12.6,;14.14,-11.85,;11.46,-10.28,;12.8,-9.51,;10.13,-9.51,;8.8,-10.28,;7.34,-9.8,;10.13,-14.13,;8.79,-14.9,;8.8,-16.44,;10.13,-17.21,;10.14,-18.75,;11.45,-16.44,;11.45,-14.9,;12.8,-14.11,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(9-25)20(16-6-5-15(23)8-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-4-3-7-26-10-14/h3-8,10,12H,9,11,25H2,1-2H3 | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324497
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1COCC1(C)C |(10.72,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.28,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.46,-2.91,;10.82,-3.64,;12.13,-2.83,;8.13,-5.25,;6.78,-5.99,;6.74,-7.53,;8.07,-8.33,;8.03,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;2.66,-5.14,;1.44,-6.08,;.17,-5.2,;.61,-3.72,;-.99,-3.83,;-.16,-2.39,)| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3 | PDB
MMDB
Reactome pathway
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324511
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.94,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.32,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324508
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1nc(cs1)-c1cccnc1 |(10.76,-1,;9.46,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.49,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.23,-5.46,;-1.7,-5.02,;-1.75,-3.48,;-.3,-2.97,;-2.84,-6.06,;-2.83,-7.6,;-4.15,-8.37,;-5.5,-7.61,;-5.51,-6.06,;-4.17,-5.29,)| Show InChI InChI=1S/C23H17Cl2N7OS/c1-12-16(8-26)20(15-5-4-14(24)7-17(15)25)32-10-18(29-22(32)28-12)21(33)31-23-30-19(11-34-23)13-3-2-6-27-9-13/h2-7,9-11H,8,26H2,1H3,(H,30,31,33) | PDB
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| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324504
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(CCc1ccccn1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.39,-9.52,;6.58,-8.21,;5.04,-8.26,;4.23,-6.94,;2.69,-6.99,;1.89,-5.67,;.35,-5.72,;-.38,-7.08,;.44,-8.4,;1.97,-8.34,;7.3,-6.85,;6.49,-5.54,;8.85,-6.8,;9.79,-8.02,;11.23,-7.5,;12.59,-8.23,;13.89,-7.42,;15.25,-8.15,;16.56,-7.34,;13.85,-5.88,;15.15,-5.06,;12.48,-5.16,;11.19,-5.97,;9.71,-5.54,;12.55,-9.76,;11.2,-10.5,;11.17,-12.04,;12.49,-12.84,;12.58,-14.44,;13.85,-12.09,;13.87,-10.56,;15.21,-9.81,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324514
((+)-Ethyl 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7...)Show SMILES CCOC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-9.34,-.68,;-8.61,.68,;-7.07,.72,;-6.34,2.08,;-7.15,3.39,;-4.8,2.13,;-3.86,.91,;-2.41,1.43,;-1.06,.7,;.25,1.51,;1.61,.79,;2.92,1.59,;.2,3.06,;1.51,3.87,;-1.16,3.77,;-2.46,2.96,;-3.93,3.4,;-1.01,-.83,;-2.32,-1.64,;-2.28,-3.18,;-.92,-3.91,;-.87,-5.44,;.4,-3.09,;.34,-1.55,;1.65,-.74,)| Show InChI InChI=1S/C17H16Cl2N4O2/c1-3-25-16(24)14-8-23-15(11-5-4-10(18)6-13(11)19)12(7-20)9(2)21-17(23)22-14/h4-6,8H,3,7,20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324514
((+)-Ethyl 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7...)Show SMILES CCOC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-9.34,-.68,;-8.61,.68,;-7.07,.72,;-6.34,2.08,;-7.15,3.39,;-4.8,2.13,;-3.86,.91,;-2.41,1.43,;-1.06,.7,;.25,1.51,;1.61,.79,;2.92,1.59,;.2,3.06,;1.51,3.87,;-1.16,3.77,;-2.46,2.96,;-3.93,3.4,;-1.01,-.83,;-2.32,-1.64,;-2.28,-3.18,;-.92,-3.91,;-.87,-5.44,;.4,-3.09,;.34,-1.55,;1.65,-.74,)| Show InChI InChI=1S/C17H16Cl2N4O2/c1-3-25-16(24)14-8-23-15(11-5-4-10(18)6-13(11)19)12(7-20)9(2)21-17(23)22-14/h4-6,8H,3,7,20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324494
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dime...)Show SMILES Cc1cc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n(C)n1 |(-2.95,-5.54,;-1.73,-4.59,;-.25,-5.02,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;-.33,-2.53,;.1,-1.06,;-1.78,-3.05,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324524
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)S(C)(=O)=O |(11.6,.54,;10.29,-.27,;8.93,.44,;7.63,-.37,;6.16,.07,;5.29,-1.2,;6.24,-2.42,;7.68,-1.9,;9.03,-2.63,;10.34,-1.82,;11.7,-2.54,;13.01,-1.73,;9,-4.16,;7.65,-4.9,;7.62,-6.44,;8.94,-7.24,;8.91,-8.78,;10.29,-6.48,;10.32,-4.95,;11.66,-4.21,;3.75,-1.24,;2.94,.06,;3.02,-2.6,;3.82,-3.91,;3.09,-5.26,;1.55,-5.3,;.75,-3.99,;1.48,-2.64,;.82,-6.65,;-.72,-6.7,;.4,-8.14,;2.15,-7.42,)| Show InChI InChI=1S/C20H22Cl2N6O3S/c1-12-15(10-23)18(14-4-3-13(21)9-16(14)22)28-11-17(25-20(28)24-12)19(29)26-5-7-27(8-6-26)32(2,30)31/h3-4,9,11H,5-8,10,23H2,1-2H3 | PDB
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| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324505
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.39,-7.36,;3.62,-6.02,;2.08,-6.02,;1.31,-7.35,;2.08,-8.69,;1.31,-10.03,;-.23,-10.03,;-1,-8.68,;-.23,-7.35,;4.4,-4.69,;3.63,-3.36,;5.94,-4.68,;6.84,-5.92,;8.3,-5.44,;9.63,-6.21,;10.97,-5.44,;12.31,-6.23,;12.3,-7.77,;10.97,-3.9,;12.31,-3.13,;9.64,-3.13,;8.31,-3.9,;6.84,-3.42,;9.63,-7.75,;8.3,-8.53,;8.3,-10.07,;9.63,-10.84,;9.65,-12.38,;10.96,-10.07,;10.96,-8.52,;12.3,-7.74,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-4-3-15(23)9-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-5-7-26-8-6-14/h3-9,12H,10-11,25H2,1-2H3 | PDB
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Ovis aries) | BDBM50222867
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1 | PDB
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay |
J Med Chem 50: 5202-16 (2007)
Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324494
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dime...)Show SMILES Cc1cc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n(C)n1 |(-2.95,-5.54,;-1.73,-4.59,;-.25,-5.02,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;-.33,-2.53,;.1,-1.06,;-1.78,-3.05,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30) | PDB
MMDB
Reactome pathway
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324507
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)Show SMILES CN(Cc1ccco1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.65,-13.28,;6.88,-11.95,;5.34,-11.95,;4.57,-13.28,;5.34,-14.61,;4.29,-15.77,;2.91,-15.13,;3.06,-13.6,;7.66,-10.61,;6.89,-9.28,;9.19,-10.6,;10.1,-11.84,;11.56,-11.37,;12.89,-12.13,;14.23,-11.36,;15.57,-12.15,;16.91,-11.39,;14.23,-9.82,;15.57,-9.05,;12.89,-9.06,;11.56,-9.83,;10.1,-9.36,;12.89,-13.68,;11.55,-14.45,;11.55,-16,;12.89,-16.76,;12.9,-18.3,;14.22,-16,;14.22,-14.45,;15.56,-13.67,)| Show InChI InChI=1S/C21H19Cl2N5O2/c1-12-16(9-24)19(15-6-5-13(22)8-17(15)23)28-11-18(26-21(28)25-12)20(29)27(2)10-14-4-3-7-30-14/h3-8,11H,9-10,24H2,1-2H3 | PDB
MMDB
Reactome pathway
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324501
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-...)Show SMILES CCn1nccc1NC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-3.58,-1.22,;-2.53,-2.33,;-2.95,-3.81,;-4.4,-4.33,;-4.36,-5.87,;-2.88,-6.31,;-2.01,-5.04,;-.47,-4.99,;.26,-3.63,;-.55,-2.32,;1.8,-3.58,;2.74,-4.81,;4.19,-4.28,;5.54,-5.01,;6.85,-4.21,;8.21,-4.93,;9.52,-4.12,;6.8,-2.66,;8.11,-1.84,;5.44,-1.94,;4.14,-2.75,;2.67,-2.32,;5.51,-6.55,;4.16,-7.29,;4.13,-8.83,;5.45,-9.63,;5.42,-11.17,;6.8,-8.87,;6.83,-7.34,;8.17,-6.59,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-3-29-17(6-7-24-29)27-19(30)16-10-28-18(13-5-4-12(21)8-15(13)22)14(9-23)11(2)25-20(28)26-16/h4-8,10H,3,9,23H2,1-2H3,(H,27,30) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Ovis aries) | BDBM50222875
(6-(4-fluorophenoxy)-2-(2-methylphenyl)-3-(piperidi...)Show SMILES Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1CC1CCCNC1 |w:27.30| Show InChI InChI=1S/C27H26FN3O2/c1-18-5-2-3-7-23(18)26-30-25-13-12-22(33-21-10-8-20(28)9-11-21)15-24(25)27(32)31(26)17-19-6-4-14-29-16-19/h2-3,5,7-13,15,19,29H,4,6,14,16-17H2,1H3 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay |
J Med Chem 50: 5202-16 (2007)
Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2 |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Ovis aries) | BDBM50222867
((S)-6-(4-fluorophenoxy)-3-((1-isopropylpiperidin-3...)Show SMILES CC(C)N1CCC[C@H](Cn2c(nc3ccc(Oc4ccc(F)cc4)cc3c2=O)-c2ccccc2C)C1 Show InChI InChI=1S/C30H32FN3O2/c1-20(2)33-16-6-8-22(18-33)19-34-29(26-9-5-4-7-21(26)3)32-28-15-14-25(17-27(28)30(34)35)36-24-12-10-23(31)11-13-24/h4-5,7,9-15,17,20,22H,6,8,16,18-19H2,1-3H3/t22-/m0/s1 | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Pharmaceuticals Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay |
J Med Chem 50: 5202-16 (2007)
Article DOI: 10.1021/jm070071+
BindingDB Entry DOI: 10.7270/Q2WH2QT2 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM50507371
(BMS-823778)Show InChI InChI=1S/C18H18ClN3O/c1-17(2,23)14-4-3-11-22-15(14)20-21-16(22)18(9-10-18)12-5-7-13(19)8-6-12/h3-8,11,23H,9-10H2,1-2H3 | PDB
MMDB
Reactome pathway
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| PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human 11beta-HSD1 expressed in HEK293 cell microsomes using [3H]cortisone as substrate after 4 hrs by homogeneous immuno-ra... |
ACS Med Chem Lett 9: 1170-1174 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00307
BindingDB Entry DOI: 10.7270/Q20R9SP3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324494
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1,3-dime...)Show SMILES Cc1cc(NC(=O)c2cn3c(c(CN)c(C)nc3n2)-c2ccc(Cl)cc2Cl)n(C)n1 |(-2.95,-5.54,;-1.73,-4.59,;-.25,-5.02,;.61,-3.75,;2.15,-3.7,;2.88,-2.34,;2.07,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.47,-2.92,;10.83,-3.64,;12.14,-2.83,;9.42,-1.37,;10.73,-.55,;8.06,-.65,;6.76,-1.46,;5.29,-1.03,;8.13,-5.26,;6.78,-5.99,;6.75,-7.53,;8.07,-8.33,;8.04,-9.87,;9.42,-7.58,;9.45,-6.05,;10.79,-5.3,;-.33,-2.53,;.1,-1.06,;-1.78,-3.05,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-10-6-17(28(3)27-10)26-19(30)16-9-29-18(13-5-4-12(21)7-15(13)22)14(8-23)11(2)24-20(29)25-16/h4-7,9H,8,23H2,1-3H3,(H,26,30) | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324497
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1COCC1(C)C |(10.72,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.28,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.46,-2.91,;10.82,-3.64,;12.13,-2.83,;8.13,-5.25,;6.78,-5.99,;6.74,-7.53,;8.07,-8.33,;8.03,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;2.66,-5.14,;1.44,-6.08,;.17,-5.2,;.61,-3.72,;-.99,-3.83,;-.16,-2.39,)| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3 | PDB
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| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324504
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(CCc1ccccn1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.39,-9.52,;6.58,-8.21,;5.04,-8.26,;4.23,-6.94,;2.69,-6.99,;1.89,-5.67,;.35,-5.72,;-.38,-7.08,;.44,-8.4,;1.97,-8.34,;7.3,-6.85,;6.49,-5.54,;8.85,-6.8,;9.79,-8.02,;11.23,-7.5,;12.59,-8.23,;13.89,-7.42,;15.25,-8.15,;16.56,-7.34,;13.85,-5.88,;15.15,-5.06,;12.48,-5.16,;11.19,-5.97,;9.71,-5.54,;12.55,-9.76,;11.2,-10.5,;11.17,-12.04,;12.49,-12.84,;12.58,-14.44,;13.85,-12.09,;13.87,-10.56,;15.21,-9.81,)| Show InChI InChI=1S/C23H22Cl2N6O/c1-14-18(12-26)21(17-7-6-15(24)11-19(17)25)31-13-20(29-23(31)28-14)22(32)30(2)10-8-16-5-3-4-9-27-16/h3-7,9,11,13H,8,10,12,26H2,1-2H3 | PDB
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324521
(4-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCNC(=O)C1 |(7.23,-5.85,;5.92,-6.66,;4.56,-5.95,;3.26,-6.75,;1.79,-6.32,;.92,-7.59,;1.87,-8.81,;3.31,-8.29,;4.66,-9.02,;5.97,-8.21,;7.33,-8.93,;8.64,-8.12,;4.63,-10.55,;3.28,-11.29,;3.25,-12.83,;4.57,-13.63,;4.54,-15.17,;5.92,-12.87,;5.95,-11.34,;7.29,-10.6,;-.62,-7.63,;-1.43,-6.33,;-1.34,-8.99,;-.54,-10.31,;-1.27,-11.66,;-2.81,-11.71,;-3.61,-10.39,;-5.15,-10.43,;-2.88,-9.04,)| Show InChI InChI=1S/C19H18Cl2N6O2/c1-10-13(7-22)17(12-3-2-11(20)6-14(12)21)27-8-15(25-19(27)24-10)18(29)26-5-4-23-16(28)9-26/h2-3,6,8H,4-5,7,9,22H2,1H3,(H,23,28) | PDB
MMDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324516
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1 |(25.5,2.3,;24.2,1.48,;22.84,2.2,;21.54,1.39,;20.06,1.83,;19.2,.56,;20.14,-.66,;21.59,-.14,;22.94,-.87,;24.24,-.06,;25.61,-.79,;26.91,.02,;22.91,-2.4,;21.56,-3.14,;21.52,-4.68,;22.85,-5.48,;22.81,-7.02,;24.2,-4.73,;24.22,-3.19,;25.57,-2.45,;17.65,.51,;16.84,1.82,;16.93,-.85,;17.6,-2.22,;16.48,-3.29,;15.13,-2.56,;15.4,-1.04,)| Show InChI InChI=1S/C19H19Cl2N5O/c1-11-14(9-22)17(13-5-4-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-6-2-3-7-25/h4-5,8,10H,2-3,6-7,9,22H2,1H3 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324497
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1COCC1(C)C |(10.72,-.55,;9.42,-1.37,;8.06,-.65,;6.76,-1.46,;5.28,-1.03,;4.42,-2.29,;5.36,-3.51,;6.81,-2.99,;8.16,-3.72,;9.46,-2.91,;10.82,-3.64,;12.13,-2.83,;8.13,-5.25,;6.78,-5.99,;6.74,-7.53,;8.07,-8.33,;8.03,-9.87,;9.42,-7.58,;9.44,-6.05,;10.79,-5.3,;2.88,-2.34,;2.07,-1.03,;2.15,-3.7,;2.66,-5.14,;1.44,-6.08,;.17,-5.2,;.61,-3.72,;-.99,-3.83,;-.16,-2.39,)| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-14(7-23)17(13-5-4-12(21)6-15(13)22)26-8-16(25-19(26)24-11)18(28)27-10-29-9-20(27,2)3/h4-6,8H,7,9-10,23H2,1-3H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324501
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-...)Show SMILES CCn1nccc1NC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-3.58,-1.22,;-2.53,-2.33,;-2.95,-3.81,;-4.4,-4.33,;-4.36,-5.87,;-2.88,-6.31,;-2.01,-5.04,;-.47,-4.99,;.26,-3.63,;-.55,-2.32,;1.8,-3.58,;2.74,-4.81,;4.19,-4.28,;5.54,-5.01,;6.85,-4.21,;8.21,-4.93,;9.52,-4.12,;6.8,-2.66,;8.11,-1.84,;5.44,-1.94,;4.14,-2.75,;2.67,-2.32,;5.51,-6.55,;4.16,-7.29,;4.13,-8.83,;5.45,-9.63,;5.42,-11.17,;6.8,-8.87,;6.83,-7.34,;8.17,-6.59,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-3-29-17(6-7-24-29)27-19(30)16-10-28-18(13-5-4-12(21)8-15(13)22)14(9-23)11(2)25-20(28)26-16/h4-8,10H,3,9,23H2,1-2H3,(H,27,30) | PDB
MMDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP559440 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 2706-11 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.011
BindingDB Entry DOI: 10.7270/Q2H70FGB |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324505
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,7-dimethy...)Show SMILES CN(Cc1ccncc1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(4.39,-7.36,;3.62,-6.02,;2.08,-6.02,;1.31,-7.35,;2.08,-8.69,;1.31,-10.03,;-.23,-10.03,;-1,-8.68,;-.23,-7.35,;4.4,-4.69,;3.63,-3.36,;5.94,-4.68,;6.84,-5.92,;8.3,-5.44,;9.63,-6.21,;10.97,-5.44,;12.31,-6.23,;12.3,-7.77,;10.97,-3.9,;12.31,-3.13,;9.64,-3.13,;8.31,-3.9,;6.84,-3.42,;9.63,-7.75,;8.3,-8.53,;8.3,-10.07,;9.63,-10.84,;9.65,-12.38,;10.96,-10.07,;10.96,-8.52,;12.3,-7.74,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-4-3-15(23)9-18(16)24)30-12-19(28-22(30)27-13)21(31)29(2)11-14-5-7-26-8-6-14/h3-9,12H,10-11,25H2,1-2H3 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324507
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)Show SMILES CN(Cc1ccco1)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(7.65,-13.28,;6.88,-11.95,;5.34,-11.95,;4.57,-13.28,;5.34,-14.61,;4.29,-15.77,;2.91,-15.13,;3.06,-13.6,;7.66,-10.61,;6.89,-9.28,;9.19,-10.6,;10.1,-11.84,;11.56,-11.37,;12.89,-12.13,;14.23,-11.36,;15.57,-12.15,;16.91,-11.39,;14.23,-9.82,;15.57,-9.05,;12.89,-9.06,;11.56,-9.83,;10.1,-9.36,;12.89,-13.68,;11.55,-14.45,;11.55,-16,;12.89,-16.76,;12.9,-18.3,;14.22,-16,;14.22,-14.45,;15.56,-13.67,)| Show InChI InChI=1S/C21H19Cl2N5O2/c1-12-16(9-24)19(15-6-5-13(22)8-17(15)23)28-11-18(26-21(28)25-12)20(29)27(2)10-14-4-3-7-30-14/h3-8,11H,9-10,24H2,1-2H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324501
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-...)Show SMILES CCn1nccc1NC(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-3.58,-1.22,;-2.53,-2.33,;-2.95,-3.81,;-4.4,-4.33,;-4.36,-5.87,;-2.88,-6.31,;-2.01,-5.04,;-.47,-4.99,;.26,-3.63,;-.55,-2.32,;1.8,-3.58,;2.74,-4.81,;4.19,-4.28,;5.54,-5.01,;6.85,-4.21,;8.21,-4.93,;9.52,-4.12,;6.8,-2.66,;8.11,-1.84,;5.44,-1.94,;4.14,-2.75,;2.67,-2.32,;5.51,-6.55,;4.16,-7.29,;4.13,-8.83,;5.45,-9.63,;5.42,-11.17,;6.8,-8.87,;6.83,-7.34,;8.17,-6.59,)| Show InChI InChI=1S/C20H19Cl2N7O/c1-3-29-17(6-7-24-29)27-19(30)16-10-28-18(13-5-4-12(21)8-15(13)22)14(9-23)11(2)25-20(28)26-16/h4-8,10H,3,9,23H2,1-2H3,(H,27,30) | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324513
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccncc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.42,-4.28,;-3.96,-4.32,;-4.69,-5.68,;-3.87,-6.99,;-2.34,-6.94,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-3-2-15(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-6-14-4-7-26-8-5-14/h2-5,7-8,10,12H,6,9,11,25H2,1H3,(H,27,31) | PDB
MMDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324522
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES COC[C@H]1CCCN1C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |r,wD:3.2,(-4.08,-5.1,;-3.17,-6.34,;-3.8,-7.75,;-2.89,-8.99,;-3.37,-10.45,;-2.12,-11.36,;-.88,-10.45,;-1.34,-8.99,;-.62,-7.63,;-1.43,-6.32,;.92,-7.58,;1.86,-8.8,;3.31,-8.28,;4.66,-9.01,;5.97,-8.21,;7.33,-8.93,;8.63,-8.12,;5.92,-6.66,;7.23,-5.84,;4.56,-5.94,;3.26,-6.75,;1.79,-6.32,;4.63,-10.54,;3.28,-11.28,;3.25,-12.82,;4.57,-13.62,;4.54,-15.16,;5.92,-12.87,;5.94,-11.34,;7.29,-10.59,)| Show InChI InChI=1S/C21H23Cl2N5O2/c1-12-16(9-24)19(15-6-5-13(22)8-17(15)23)28-10-18(26-21(28)25-12)20(29)27-7-3-4-14(27)11-30-2/h5-6,8,10,14H,3-4,7,9,11,24H2,1-2H3/t14-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324522
((6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylim...)Show SMILES COC[C@H]1CCCN1C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |r,wD:3.2,(-4.08,-5.1,;-3.17,-6.34,;-3.8,-7.75,;-2.89,-8.99,;-3.37,-10.45,;-2.12,-11.36,;-.88,-10.45,;-1.34,-8.99,;-.62,-7.63,;-1.43,-6.32,;.92,-7.58,;1.86,-8.8,;3.31,-8.28,;4.66,-9.01,;5.97,-8.21,;7.33,-8.93,;8.63,-8.12,;5.92,-6.66,;7.23,-5.84,;4.56,-5.94,;3.26,-6.75,;1.79,-6.32,;4.63,-10.54,;3.28,-11.28,;3.25,-12.82,;4.57,-13.62,;4.54,-15.16,;5.92,-12.87,;5.94,-11.34,;7.29,-10.59,)| Show InChI InChI=1S/C21H23Cl2N5O2/c1-12-16(9-24)19(15-6-5-13(22)8-17(15)23)28-10-18(26-21(28)25-12)20(29)27-7-3-4-14(27)11-30-2/h5-6,8,10,14H,3-4,7,9,11,24H2,1-2H3/t14-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 8
(Homo sapiens (Human)) | BDBM50324506
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(furan-2-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 |(7.8,-1.45,;6.49,-2.27,;5.14,-1.55,;3.84,-2.36,;2.36,-1.92,;1.5,-3.2,;2.43,-4.42,;3.89,-3.9,;5.24,-4.63,;6.55,-3.82,;7.91,-4.54,;9.21,-3.73,;5.21,-6.16,;3.86,-6.9,;3.83,-8.44,;5.15,-9.24,;5.12,-10.78,;6.5,-8.48,;6.52,-6.94,;7.87,-6.2,;-.05,-3.24,;-.86,-1.94,;-.77,-4.6,;-2.31,-4.64,;-3.04,-6,;-2.63,-7.49,;-3.9,-8.34,;-5.12,-7.39,;-4.59,-5.95,)| Show InChI InChI=1S/C20H17Cl2N5O2/c1-11-15(8-23)18(14-5-4-12(21)7-16(14)22)27-10-17(26-20(27)25-11)19(28)24-9-13-3-2-6-29-13/h2-7,10H,8-9,23H2,1H3,(H,24,28) | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP8 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324515
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-N,N-diethyl...)Show SMILES CCN(CC)C(=O)c1cn2c(c(CN)c(C)nc2n1)-c1ccc(Cl)cc1Cl |(-7.06,-1.08,;-6.33,.27,;-4.79,.32,;-3.98,-.99,;-4.71,-2.34,;-4.07,1.68,;-4.88,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;2.48,2.65,;3.79,3.47,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;1.19,-1.24,;-.16,-1.98,;-.19,-3.51,;1.13,-4.32,;1.1,-5.86,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,)| Show InChI InChI=1S/C19H21Cl2N5O/c1-4-25(5-2)18(27)16-10-26-17(13-7-6-12(20)8-15(13)21)14(9-22)11(3)23-19(26)24-16/h6-8,10H,4-5,9,22H2,1-3H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324512
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1ccccn1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.17,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.48,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.93,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.31,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(11-25)20(16-6-5-14(23)10-18(16)24)30-12-19(29-22(30)28-13)21(31)27-9-7-15-4-2-3-8-26-15/h2-6,8,10,12H,7,9,11,25H2,1H3,(H,27,31) | PDB
MMDB
Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50324511
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCCc1cccnc1 |(10.76,-1,;9.45,-1.81,;8.1,-1.09,;6.8,-1.9,;5.33,-1.46,;4.46,-2.74,;5.4,-3.96,;6.85,-3.44,;8.2,-4.17,;9.51,-3.36,;10.87,-4.08,;12.18,-3.27,;8.17,-5.7,;6.82,-6.44,;6.79,-7.98,;8.11,-8.78,;8.08,-10.32,;9.46,-8.02,;9.49,-6.48,;10.83,-5.74,;2.92,-2.78,;2.11,-1.48,;2.19,-4.14,;.65,-4.18,;-.08,-5.54,;-1.62,-5.59,;-2.34,-6.94,;-3.87,-6.99,;-4.69,-5.68,;-3.96,-4.32,;-2.42,-4.28,)| Show InChI InChI=1S/C22H20Cl2N6O/c1-13-17(10-25)20(16-5-4-15(23)9-18(16)24)30-12-19(29-22(30)28-13)21(31)27-8-6-14-3-2-7-26-11-14/h2-5,7,9,11-12H,6,8,10,25H2,1H3,(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 9
(Homo sapiens (Human)) | BDBM50324518
(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-...)Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NC1CCOCC1 |(3.78,3.47,;2.48,2.65,;1.12,3.37,;-.18,2.56,;-1.66,2.99,;-2.52,1.73,;-1.58,.51,;-.13,1.03,;1.22,.3,;2.53,1.1,;3.89,.38,;5.19,1.19,;1.19,-1.24,;-.16,-1.97,;-.19,-3.51,;1.13,-4.31,;1.1,-5.85,;2.48,-3.56,;2.5,-2.03,;3.85,-1.28,;-4.06,1.68,;-4.87,2.98,;-4.79,.32,;-6.33,.27,;-7.07,-1.1,;-8.62,-1.13,;-9.43,.18,;-8.7,1.54,;-7.16,1.59,)| Show InChI InChI=1S/C20H21Cl2N5O2/c1-11-15(9-23)18(14-3-2-12(21)8-16(14)22)27-10-17(26-20(27)24-11)19(28)25-13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9,23H2,1H3,(H,25,28) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of human DPP9 |
J Med Chem 53: 5620-8 (2010)
Article DOI: 10.1021/jm100634a
BindingDB Entry DOI: 10.7270/Q2S182PX |
More data for this
Ligand-Target Pair | |
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