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17 similar compounds to monomer 50172078

Compile data set for download or QSAR
Wt: 531.0
BDBM50139034
Wt: 545.1
BDBM50139039
Wt: 425.3
BDBM50172063
Wt: 438.4
BDBM50172080
Wt: 447.5
BDBM50172081
Wt: 2326.6
BDBM50172065
Wt: 2283.6
BDBM50172064
Wt: 447.5
BDBM50172068
Wt: 455.5
BDBM50172076
Wt: 469.5
BDBM50172069
Wt: 400.4
BDBM50172072
Wt: 588.6
BDBM50172073
Wt: 560.5
BDBM50172075
Wt: 462.5
BDBM50172061
Wt: 399.4
BDBM50172062
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50139034,50139039,50172063,50172080,50172081,50172065,50172064,50172068,50172076,50172069,50172072,50172073,50172075,50172061,50172062   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139039
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CC(C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H37ClN4O2/c1-22(2)27-9-5-6-10-30(27)36-15-17-37(18-16-36)32(39)29(19-23-11-13-26(33)14-12-23)35-31(38)28-20-24-7-3-4-8-25(24)21-34-28/h3-14,22,28-29,34H,15-21H2,1-2H3,(H,35,38)/t28-,29-/m1/s1
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720n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139034
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C31H35ClN4O2/c1-2-23-7-5-6-10-29(23)35-15-17-36(18-16-35)31(38)28(19-22-11-13-26(32)14-12-22)34-30(37)27-20-24-8-3-4-9-25(24)21-33-27/h3-14,27-28,33H,2,15-21H2,1H3,(H,34,37)/t27-,28-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonistic potency towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50172061
PNG
(CHEMBL3805893)
Show SMILES C(Oc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C30H26N2O3/c1-3-7-22(8-4-1)21-35-26-14-11-23(12-15-26)28-20-27(31-32(28)25-9-5-2-6-10-25)24-13-16-29-30(19-24)34-18-17-33-29/h1-16,19,28H,17-18,20-21H2
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n/an/a 9.04E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged EGFR (unknown origin) cytoplasmic domain (645 to 1186 residues) autophosphorylation expressed in baculovirus in...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50172062
PNG
(CHEMBL3806108)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C25H25N3O2/c1-27(2)20-11-8-18(9-12-20)23-17-22(26-28(23)21-6-4-3-5-7-21)19-10-13-24-25(16-19)30-15-14-29-24/h3-13,16,23H,14-15,17H2,1-2H3
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n/an/a>3.00E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged EGFR (unknown origin) cytoplasmic domain (645 to 1186 residues) autophosphorylation expressed in baculovirus in...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50172063
PNG
(CHEMBL3805849)
Show SMILES Clc1ccc(cc1Cl)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H18Cl2N2O2/c24-18-8-6-16(12-19(18)25)21-14-20(26-27(21)17-4-2-1-3-5-17)15-7-9-22-23(13-15)29-11-10-28-22/h1-9,12-13,21H,10-11,14H2
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n/an/a 1.92E+5n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged EGFR (unknown origin) cytoplasmic domain (645 to 1186 residues) autophosphorylation expressed in baculovirus in...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Mus musculus)
BDBM50172063
PNG
(CHEMBL3805849)
Show SMILES Clc1ccc(cc1Cl)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H18Cl2N2O2/c24-18-8-6-16(12-19(18)25)21-14-20(26-27(21)17-4-2-1-3-5-17)15-7-9-22-23(13-15)29-11-10-28-22/h1-9,12-13,21H,10-11,14H2
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n/an/a 8.35E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse c-Raf assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr before MEK1 ad...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Mus musculus)
BDBM50172062
PNG
(CHEMBL3806108)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C25H25N3O2/c1-27(2)20-11-8-18(9-12-20)23-17-22(26-28(23)21-6-4-3-5-7-21)19-10-13-24-25(16-19)30-15-14-29-24/h3-13,16,23H,14-15,17H2,1-2H3
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n/an/a 5.48E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse c-Raf assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr before MEK1 ad...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Mus musculus)
BDBM50172061
PNG
(CHEMBL3805893)
Show SMILES C(Oc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C30H26N2O3/c1-3-7-22(8-4-1)21-35-26-14-11-23(12-15-26)28-20-27(31-32(28)25-9-5-2-6-10-25)24-13-16-29-30(19-24)34-18-17-33-29/h1-16,19,28H,17-18,20-21H2
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n/an/a 5.17E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse c-Raf assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr before MEK1 ad...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50172063
PNG
(CHEMBL3805849)
Show SMILES Clc1ccc(cc1Cl)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H18Cl2N2O2/c24-18-8-6-16(12-19(18)25)21-14-20(26-27(21)17-4-2-1-3-5-17)15-7-9-22-23(13-15)29-11-10-28-22/h1-9,12-13,21H,10-11,14H2
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n/an/a 3.37E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr befor...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50172062
PNG
(CHEMBL3806108)
Show SMILES CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C25H25N3O2/c1-27(2)20-11-8-18(9-12-20)23-17-22(26-28(23)21-6-4-3-5-7-21)19-10-13-24-25(16-19)30-15-14-29-24/h3-13,16,23H,14-15,17H2,1-2H3
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n/an/a 870n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr befor...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Mus musculus)
BDBM50172061
PNG
(CHEMBL3805893)
Show SMILES C(Oc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C30H26N2O3/c1-3-7-22(8-4-1)21-35-26-14-11-23(12-15-26)28-20-27(31-32(28)25-9-5-2-6-10-25)24-13-16-29-30(19-24)34-18-17-33-29/h1-16,19,28H,17-18,20-21H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of mouse wild type BRAF assessed as reduction in human full length N-terminal His-tagged MEK1 phosphorylation pre-incubated for 1 hr befor...


Bioorg Med Chem 24: 3052-3061 (2016)


Article DOI: 10.1016/j.bmc.2016.05.012
BindingDB Entry DOI: 10.7270/Q2HX1FKZ
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50172064
PNG
(CHEMBL3809901)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C98H171N37O26/c1-45(2)41-68(84(150)115-44-72(139)135-73(47(5)6)93(159)124-50(9)76(142)125-57(16)94(160)161)134-91(157)67(33-35-71(102)138)132-90(156)65(27-22-40-114-98(109)110)130-81(147)55(14)123-92(158)69(42-46(3)4)133-82(148)56(15)121-85(151)61(23-17-18-36-99)126-79(145)53(12)120-87(153)63(25-20-38-112-96(105)106)128-80(146)54(13)122-88(154)66(32-34-70(101)137)131-89(155)64(26-21-39-113-97(107)108)129-77(143)51(10)117-74(140)48(7)116-75(141)49(8)119-86(152)62(24-19-37-111-95(103)104)127-78(144)52(11)118-83(149)60(100)43-58-28-30-59(136)31-29-58/h28-31,45-57,60-69,73,136H,17-27,32-44,99-100H2,1-16H3,(H2,101,137)(H2,102,138)(H,115,150)(H,116,141)(H,117,140)(H,118,149)(H,119,152)(H,120,153)(H,121,151)(H,122,154)(H,123,158)(H,124,159)(H,125,142)(H,126,145)(H,127,144)(H,128,146)(H,129,143)(H,130,147)(H,131,155)(H,132,156)(H,133,148)(H,134,157)(H,135,139)(H,160,161)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,73-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged MK2 (46 to 400 residues) expressed in Escherichia coli in presence of radiolabelled ATP by radi...


J Med Chem 59: 3609-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01457
BindingDB Entry DOI: 10.7270/Q2D50PW0
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50172065
PNG
(CHEMBL3809381)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C99H172N38O27/c1-45(2)40-67(84(152)117-44-73(142)137-74(47(5)6)94(162)125-50(9)77(145)126-56(15)95(163)164)135-91(159)66(32-34-71(103)140)133-90(158)64(26-21-39-116-99(111)112)131-93(161)69(43-72(104)141)136-92(160)68(41-46(3)4)134-82(150)55(14)123-85(153)60(22-16-17-35-100)127-80(148)53(12)122-87(155)62(24-19-37-114-97(107)108)129-81(149)54(13)124-88(156)65(31-33-70(102)139)132-89(157)63(25-20-38-115-98(109)110)130-78(146)51(10)119-75(143)48(7)118-76(144)49(8)121-86(154)61(23-18-36-113-96(105)106)128-79(147)52(11)120-83(151)59(101)42-57-27-29-58(138)30-28-57/h27-30,45-56,59-69,74,138H,16-26,31-44,100-101H2,1-15H3,(H2,102,139)(H2,103,140)(H2,104,141)(H,117,152)(H,118,144)(H,119,143)(H,120,151)(H,121,154)(H,122,155)(H,123,153)(H,124,156)(H,125,162)(H,126,145)(H,127,148)(H,128,147)(H,129,149)(H,130,146)(H,131,161)(H,132,157)(H,133,158)(H,134,150)(H,135,159)(H,136,160)(H,137,142)(H,163,164)(H4,105,106,113)(H4,107,108,114)(H4,109,110,115)(H4,111,112,116)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,74-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged MK2 (46 to 400 residues) expressed in Escherichia coli in presence of radiolabelled ATP by radi...


J Med Chem 59: 3609-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01457
BindingDB Entry DOI: 10.7270/Q2D50PW0
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50172068
PNG
(CHEMBL3808630)
Show SMILES COCCOCc1cccc(c1)-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
Show InChI InChI=1S/C25H25N3O3S/c1-15-13-26-23-22-18-6-7-19(17-5-3-4-16(12-17)14-31-11-10-30-2)28-20(18)8-9-21(22)32-24(23)25(29)27-15/h3-9,12,15,26H,10-11,13-14H2,1-2H3,(H,27,29)/t15-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in recombinant baculovirus infected insect Sf9 cell membrane vesicles assessed as [3H]-taurocholate transport prei...


J Med Chem 59: 3609-34 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01457
BindingDB Entry DOI: 10.7270/Q2D50PW0
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50172069
PNG
(CHEMBL3809616)
Show SMILES C[C@H](OC1CCN(CC1)C(=O)OC(C)(C)C)c1nc(no1)-c1ccc(c(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C21H28FN3O6S/c1-13(29-15-8-10-25(11-9-15)20(26)30-21(2,3)4)19-23-18(24-31-19)14-6-7-17(16(22)12-14)32(5,27)28/h6-7,12-13,15H,8-11H2,1-5H3/t13-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 receptor cotransformed in Saccharomyces cerevisiae cells after by fluorescent reporter gene assay


J Med Chem 59: 3579-92 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01198
BindingDB Entry DOI: 10.7270/Q28C9Z54
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50172072
PNG
(CHEMBL3809973)
Show SMILES CC(C)c1noc(n1)N1CCC(CC(F)CNc2ccc3CCC(=O)c3c2)CC1
Show InChI InChI=1S/C22H29FN4O2/c1-14(2)21-25-22(29-26-21)27-9-7-15(8-10-27)11-17(23)13-24-18-5-3-16-4-6-20(28)19(16)12-18/h3,5,12,14-15,17,24H,4,6-11,13H2,1-2H3
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n/an/an/an/a 33n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 receptor expressed in CHOK1 cells assessed as increase in cellular cAMP levels after 30 mins by HTRF assay


J Med Chem 59: 3579-92 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01198
BindingDB Entry DOI: 10.7270/Q28C9Z54
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50172072
PNG
(CHEMBL3809973)
Show SMILES CC(C)c1noc(n1)N1CCC(CC(F)CNc2ccc3CCC(=O)c3c2)CC1
Show InChI InChI=1S/C22H29FN4O2/c1-14(2)21-25-22(29-26-21)27-9-7-15(8-10-27)11-17(23)13-24-18-5-3-16-4-6-20(28)19(16)12-18/h3,5,12,14-15,17,24H,4,6-11,13H2,1-2H3
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n/an/an/an/a 33n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 receptor assessed as increase in cellular cAMP levels by HTRF assay


J Med Chem 59: 3579-92 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01198
BindingDB Entry DOI: 10.7270/Q28C9Z54
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50172073
PNG
(CHEMBL3809509)
Show SMILES C[C@@H](OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N2O5S/c1-21(30(31,32)33)39-28(36)35-16-13-29(14-17-35)12-11-25-18-24(9-10-27(25)40-29)23-7-5-22(6-8-23)19-41(37,38)20-26-4-2-3-15-34-26/h2-10,15,18,21H,11-14,16-17,19-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 54n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 receptor assessed as increase in cellular cAMP levels by HTRF assay


J Med Chem 59: 3579-92 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01198
BindingDB Entry DOI: 10.7270/Q28C9Z54
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50172075
PNG
(CHEMBL3808844)
Show SMILES CCOc1cn(nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)-c1ccc(F)cc1C
Show InChI InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)
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n/an/a 19n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of AXL in human Hs578t cells by homogeneous time-resolved fluorescence assay


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50172076
PNG
(CHEMBL3809908)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(CC#N)c3)c3c(C)c[nH]c3n2)cc1F
Show InChI InChI=1S/C26H26FN7/c1-17-16-29-25-23(17)24(19-5-3-4-18(14-19)8-9-28)31-26(32-25)30-20-6-7-22(21(27)15-20)34-12-10-33(2)11-13-34/h3-7,14-16H,8,10-13H2,1-2H3,(H2,29,30,31,32)
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin) by cell based assay


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50172076
PNG
(CHEMBL3809908)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(-c3cccc(CC#N)c3)c3c(C)c[nH]c3n2)cc1F
Show InChI InChI=1S/C26H26FN7/c1-17-16-29-25-23(17)24(19-5-3-4-18(14-19)8-9-28)31-26(32-25)30-20-6-7-22(21(27)15-20)34-12-10-33(2)11-13-34/h3-7,14-16H,8,10-13H2,1-2H3,(H2,29,30,31,32)
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n/an/a 58n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin)


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50172080
PNG
(CHEMBL3808948)
Show SMILES O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1
Show InChI InChI=1S/C22H22N4O4S/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25/h1-2,7-10,23H,3-6,11-13H2,(H,24,28)/b18-9-
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n/an/a 56n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human AXL expressed in MEF cells by ELISA


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50172080
PNG
(CHEMBL3808948)
Show SMILES O=C1CSC(=O)N1Cc1ccc2NC(=O)\C(=C/c3cc(CN4CCOCC4)c[nH]3)c2c1
Show InChI InChI=1S/C22H22N4O4S/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25/h1-2,7-10,23H,3-6,11-13H2,(H,24,28)/b18-9-
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n/an/a 7n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of human AXL by radiometric assay


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50172081
PNG
(AMUVATINIB | Amuvatinib | HPK-56 | HPK56 | MP-470)
Show SMILES S=C(NCc1ccc2OCOc2c1)N1CCN(CC1)c1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)
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n/an/a<1.00E+3n/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Inhibition of AXL in human GIST cells


J Med Chem 59: 3593-608 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01273
BindingDB Entry DOI: 10.7270/Q24M96FS
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50172073
PNG
(CHEMBL3809509)
Show SMILES C[C@@H](OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N2O5S/c1-21(30(31,32)33)39-28(36)35-16-13-29(14-17-35)12-11-25-18-24(9-10-27(25)40-29)23-7-5-22(6-8-23)19-41(37,38)20-26-4-2-3-15-34-26/h2-10,15,18,21H,11-14,16-17,19-20H2,1H3/t21-/m1/s1
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n/an/an/an/a 54n/an/an/an/a



Kowa Co. LTD

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 4 hrs by Bright-Glo luciferase assay


Bioorg Med Chem Lett 28: 3236-3241 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.010
BindingDB Entry DOI: 10.7270/Q22Z187Q
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139039
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CC(C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C32H37ClN4O2/c1-22(2)27-9-5-6-10-30(27)36-15-17-37(18-16-36)32(39)29(19-23-11-13-26(33)14-12-23)35-31(38)28-20-24-7-3-4-8-25(24)21-34-28/h3-14,22,28-29,34H,15-21H2,1-2H3,(H,35,38)/t28-,29-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50139034
PNG
(1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...)
Show SMILES CCc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C31H35ClN4O2/c1-2-23-7-5-6-10-29(23)35-15-17-36(18-16-35)31(38)28(19-22-11-13-26(32)14-12-22)34-30(37)27-20-24-8-3-4-9-25(24)21-33-27/h3-14,27-28,33H,2,15-21H2,1H3,(H,34,37)/t27-,28-/m1/s1
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n/an/an/an/a 145n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonistic potency of the compound towards human melanocortin 4 receptor, determined by 50% maximum cAMP release


J Med Chem 47: 744-55 (2004)


Article DOI: 10.1021/jm0304109
BindingDB Entry DOI: 10.7270/Q2DJ5F21
More data for this
Ligand-Target Pair