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Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'kawamura' and Initial = 't'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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87n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCdelta-C1B domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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360n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCeta-C1B domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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480n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCepsilon-C1B domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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600n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCalpha-C1A domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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660n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCgamma-C1A domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50348877
PNG
(CHEMBL1807163)
Show SMILES CC(C)[C@@H]1N(C)c2cc3c(c4[nH]cc(CC(=O)NC1=O)c24)[C@](C)(CC[C@]3(C)C(C)C)C=C |r|
Show InChI InChI=1S/C27H37N3O2/c1-9-26(6)10-11-27(7,16(4)5)18-13-19-21-17(14-28-23(21)22(18)26)12-20(31)29-25(32)24(15(2)3)30(19)8/h9,13-16,24,28H,1,10-12H2,2-8H3,(H,29,31,32)/t24-,26-,27+/m0/s1
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730n/an/an/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of [3H]PDBu binding to PKCbeta-C1A domain peptide


Bioorg Med Chem 19: 4377-85 (2011)


Article DOI: 10.1016/j.bmc.2011.05.009
BindingDB Entry DOI: 10.7270/Q21J9B4S
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292221
PNG
((S)-3-(2,4-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)7-8-30-17-10-12(19(28)31)9-15(22(25,26)27)18(17)21(33,20(30)32)14-6-5-13(23)11-16(14)24/h5-6,9-11,33H,3-4,7-8H2,1-2H3,(H2,28,31)/t21-/m1/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447747
PNG
(CHEMBL3113272)
Show SMILES Fc1ccc(F)c(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-15(21)14(12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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n/an/a 0.0250n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447748
PNG
(CHEMBL3113271)
Show SMILES Fc1cccc(c1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-4-1-3-13(17(14)21)15-6-8-22-18(24-15)27-9-11-28(12-10-27)19(29)25-16-5-2-7-23-26-16/h1-8H,9-12H2,(H,25,26,29)
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n/an/a 0.0720n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447745
PNG
(CHEMBL3113274)
Show SMILES Fc1cc(F)cc(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-10-13(11-15(21)12-14)16-3-5-22-18(24-16)27-6-8-28(9-7-27)19(29)25-17-2-1-4-23-26-17/h1-5,10-12H,6-9H2,(H,25,26,29)
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n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)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](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
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Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50447747
PNG
(CHEMBL3113272)
Show SMILES Fc1ccc(F)c(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-15(21)14(12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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n/an/a 0.170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292225
PNG
((S)-3-(2,5-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)7-8-30-17-10-12(19(28)31)9-15(22(25,26)27)18(17)21(33,20(30)32)14-11-13(23)5-6-16(14)24/h5-6,9-11,33H,3-4,7-8H2,1-2H3,(H2,28,31)/t21-/m1/s1
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n/an/a 0.240n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50447746
PNG
(CHEMBL3113273)
Show SMILES Fc1ccc(cc1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-4-3-13(12-15(14)21)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50447745
PNG
(CHEMBL3113274)
Show SMILES Fc1cc(F)cc(c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-10-13(11-15(21)12-14)16-3-5-22-18(24-16)27-6-8-28(9-7-27)19(29)25-17-2-1-4-23-26-17/h1-5,10-12H,6-9H2,(H,25,26,29)
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n/an/a 0.340n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50447749
PNG
(CHEMBL3113270)
Show SMILES Fc1ccc(c(F)c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426652
PNG
(CHEMBL2326178)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2F)c1C
Show InChI InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426652
PNG
(CHEMBL2326178)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2F)c1C
Show InChI InChI=1S/C19H19F2N5O2S/c1-11-12(2)28-24-17(11)23-18(27)25-5-7-26(8-6-25)19-22-16(10-29-19)14-4-3-13(20)9-15(14)21/h3-4,9-10H,5-8H2,1-2H3,(H,23,24,27)
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n/an/a 0.460n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426651
PNG
(CHEMBL2326194)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2F)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-5-3-4-6-15(14)20/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.670n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426650
PNG
(CHEMBL2326177)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-3-5-15(20)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.710n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447746
PNG
(CHEMBL3113273)
Show SMILES Fc1ccc(cc1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-4-3-13(12-15(14)21)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426651
PNG
(CHEMBL2326194)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2F)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-5-3-4-6-15(14)20/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.75n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426648
PNG
(CHEMBL2326197)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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n/an/a 0.800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426650
PNG
(CHEMBL2326177)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-7-9-25(10-8-24)19-21-16(11-28-19)14-3-5-15(20)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,22,23,26)
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n/an/a 0.860n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426649
PNG
(CHEMBL2326192)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2)c1C
Show InChI InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426649
PNG
(CHEMBL2326192)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2ccccc2)c1C
Show InChI InChI=1S/C19H21N5O2S/c1-13-14(2)26-22-17(13)21-18(25)23-8-10-24(11-9-23)19-20-16(12-27-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,21,22,25)
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n/an/a 0.960n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447749
PNG
(CHEMBL3113270)
Show SMILES Fc1ccc(c(F)c1)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)12-13)16-5-7-22-18(24-16)27-8-10-28(11-9-27)19(29)25-17-2-1-6-23-26-17/h1-7,12H,8-11H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426645
PNG
(CHEMBL2326193)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2F)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50447748
PNG
(CHEMBL3113271)
Show SMILES Fc1cccc(c1F)-c1ccnc(n1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-14-4-1-3-13(17(14)21)15-6-8-22-18(24-15)27-9-11-28(12-10-27)19(29)25-16-5-2-7-23-26-16/h1-8H,9-12H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426647
PNG
(CHEMBL2326196)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426648
PNG
(CHEMBL2326197)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccc(F)cc2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-3-5-14(19)6-4-13/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426646
PNG
(CHEMBL2326189)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C
Show InChI InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426647
PNG
(CHEMBL2326196)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(cs2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C19H20FN5O2S/c1-12-13(2)27-23-17(12)22-18(26)24-6-8-25(9-7-24)19-21-16(11-28-19)14-4-3-5-15(20)10-14/h3-5,10-11H,6-9H2,1-2H3,(H,22,23,26)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447750
PNG
(CHEMBL3113269)
Show SMILES Fc1ccc(c(F)c1)-c1cc(ncn1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)10-13)16-11-18(23-12-22-16)27-6-8-28(9-7-27)19(29)25-17-2-1-5-24-26-17/h1-5,10-12H,6-9H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292228
PNG
((S)-3-(2,3-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)8-9-30-16-11-12(19(28)31)10-14(22(25,26)27)17(16)21(33,20(30)32)13-6-5-7-15(23)18(13)24/h5-7,10-11,33H,3-4,8-9H2,1-2H3,(H2,28,31)/t21-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426646
PNG
(CHEMBL2326189)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2)c1C
Show InChI InChI=1S/C18H20N6O2S/c1-12-13(2)26-21-15(12)19-17(25)23-8-10-24(11-9-23)18-20-16(22-27-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,19,21,25)
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50447750
PNG
(CHEMBL3113269)
Show SMILES Fc1ccc(c(F)c1)-c1cc(ncn1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C19H17F2N7O/c20-13-3-4-14(15(21)10-13)16-11-18(23-12-22-16)27-6-8-28(9-7-27)19(29)25-17-2-1-5-24-26-17/h1-5,10-12H,6-9H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426644
PNG
(CHEMBL2326195)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-6-8-25(9-7-24)18-21-16(23-28-18)13-4-3-5-14(19)10-13/h3-5,10H,6-9H2,1-2H3,(H,20,22,26)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426645
PNG
(CHEMBL2326193)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2ccccc2F)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-7-9-25(10-8-24)18-21-16(23-28-18)13-5-3-4-6-14(13)19/h3-6H,7-10H2,1-2H3,(H,20,22,26)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50447751
PNG
(CHEMBL3113268)
Show SMILES Fc1ccc(c(F)c1)-c1ccnc(c1)N1CCN(CC1)C(=O)Nc1cccnn1
Show InChI InChI=1S/C20H18F2N6O/c21-15-3-4-16(17(22)13-15)14-5-7-23-19(12-14)27-8-10-28(11-9-27)20(29)25-18-2-1-6-24-26-18/h1-7,12-13H,8-11H2,(H,25,26,29)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay


Bioorg Med Chem 22: 1468-78 (2014)


Article DOI: 10.1016/j.bmc.2013.12.023
BindingDB Entry DOI: 10.7270/Q20C4X77
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426643
PNG
(CHEMBL2326190)
Show SMILES O=C(Nc1cccnn1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H17N7OS/c25-16(19-14-7-4-8-18-21-14)23-9-11-24(12-10-23)17-20-15(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,21,25)
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n/an/a 2.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426644
PNG
(CHEMBL2326195)
Show SMILES Cc1onc(NC(=O)N2CCN(CC2)c2nc(ns2)-c2cccc(F)c2)c1C
Show InChI InChI=1S/C18H19FN6O2S/c1-11-12(2)27-22-15(11)20-17(26)24-6-8-25(9-7-24)18-21-16(23-28-18)13-4-3-5-14(19)10-13/h3-5,10H,6-9H2,1-2H3,(H,20,22,26)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50426643
PNG
(CHEMBL2326190)
Show SMILES O=C(Nc1cccnn1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C17H17N7OS/c25-16(19-14-7-4-8-18-21-14)23-9-11-24(12-10-23)17-20-15(22-26-17)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,19,21,25)
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n/an/a 3.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50426641
PNG
(CHEMBL2326181)
Show SMILES O=C(Nc1noc2ccccc12)N1CCN(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
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n/an/a 3.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)


Bioorg Med Chem 21: 28-41 (2012)


Article DOI: 10.1016/j.bmc.2012.11.006
BindingDB Entry DOI: 10.7270/Q2FN17H6
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50292230
PNG
((S)-3-(2,6-Dichloro-phenyl)-1-(2-diethylamino-ethy...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H22Cl2F3N3O3/c1-3-29(4-2)8-9-30-16-11-12(19(28)31)10-13(22(25,26)27)17(16)21(33,20(30)32)18-14(23)6-5-7-15(18)24/h5-7,10-11,33H,3-4,8-9H2,1-2H3,(H2,28,31)/t21-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membrane preparation


Bioorg Med Chem Lett 15: 1789-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.042
BindingDB Entry DOI: 10.7270/Q24J0FWD
More data for this
Ligand-Target Pair
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