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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'caro' and Initial = 'l'   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50187745
PNG
(CHEMBL383412 | c(Arg-Gly-Asp-D-Phe-Val))
Show SMILES CC(C)C1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21?/m0/s1
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n/an/a 680n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of adhesion of K562 cells expressing alphaVbeta3 integrin receptor to vitronectin


J Med Chem 49: 3416-20 (2006)


Article DOI: 10.1021/jm060233m
BindingDB Entry DOI: 10.7270/Q23X87V0
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50187746
PNG
(CHEMBL384337 | RGDechi)
Show SMILES CSCCC(NC(=O)CCC1NC(=O)C(CC(O)=O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC1=O)C(=O)NC(CC(O)=O)C(=O)NC(CC(O)=O)C(=O)N1CCCC1C(=O)NCC(=O)NC(N)=NCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |w:78.80,wU:87.88,98.101,112.115,128.133,132.137,137.141,138.144,wD:82.84,102.104,(12.5,-20.54,;10.97,-20.36,;10.36,-18.94,;8.83,-18.76,;8.22,-17.35,;6.69,-17.17,;5.77,-18.4,;6.38,-19.82,;4.24,-18.22,;3.32,-19.46,;1.79,-19.28,;1.29,-20.73,;.26,-21.87,;1.15,-23.13,;-1.16,-22.49,;-.86,-24,;-2.01,-25.01,;-1.71,-26.52,;-3.47,-24.52,;-2.56,-21.84,;-4.1,-21.83,;-5.02,-23.06,;-5.11,-20.67,;-5.56,-19.2,;-5.4,-17.67,;-6.86,-17.18,;-4.61,-16.35,;-5.74,-15.31,;-5.41,-13.8,;-6.54,-12.76,;-6.21,-11.26,;-7.34,-10.21,;-7,-8.71,;-8.81,-10.68,;-3.1,-16.04,;-1.85,-15.15,;-1.83,-13.61,;-.34,-15.49,;.3,-14.09,;-.59,-12.84,;.05,-11.43,;-.84,-10.18,;-.81,-8.85,;.41,-16.83,;1.65,-17.75,;3.12,-17.29,;9.14,-16.11,;8.53,-14.7,;10.67,-16.29,;11.45,-14.96,;10.69,-13.62,;11.47,-12.3,;10.71,-10.96,;13.01,-12.31,;12.99,-14.98,;13.75,-16.32,;13.77,-13.65,;15.31,-13.66,;16.07,-15,;17.61,-15.01,;18.37,-16.35,;18.39,-13.69,;16.09,-12.33,;17.63,-12.35,;15.33,-10.99,;13.79,-10.82,;13.49,-9.31,;14.83,-8.55,;15.96,-9.59,;17.47,-9.28,;17.95,-7.82,;18.49,-10.43,;20,-10.12,;21.03,-11.27,;20.54,-12.73,;22.53,-10.96,;22.51,-9.42,;21.17,-8.66,;23.83,-8.63,;25.18,-9.39,;26.5,-8.6,;27.84,-9.35,;29.17,-8.57,;29.15,-7.03,;30.51,-9.32,;30.53,-10.86,;31.83,-8.54,;33.18,-9.29,;34.5,-8.51,;34.48,-6.97,;35.81,-6.18,;33.14,-6.21,;33.2,-10.83,;31.87,-11.62,;34.53,-11.59,;35.93,-10.94,;36.98,-12.07,;36.22,-13.42,;34.72,-13.11,;33.59,-14.16,;32.12,-13.7,;33.92,-15.66,;32.85,-16.76,;31.35,-16.38,;30.27,-17.48,;30.53,-19,;29.17,-19.71,;28.07,-18.64,;28.75,-17.26,;33.26,-18.25,;34.75,-18.63,;32.18,-19.34,;32.6,-20.83,;34.1,-21.21,;34.51,-22.69,;35.99,-23.08,;36.41,-24.56,;37.91,-24.94,;31.52,-21.93,;30.03,-21.55,;31.94,-23.41,;30.86,-24.51,;31.27,-26,;32.77,-26.38,;30.2,-27.1,;30.46,-28.62,;29.09,-29.33,;28,-28.25,;28.67,-26.87,;27.97,-25.51,;28.72,-24.17,;26.43,-25.53,;25.67,-26.87,;26.46,-28.19,;24.13,-26.89,;23.35,-25.56,;23.38,-28.23,;21.84,-28.24,;21.08,-29.59,;21.87,-30.92,;19.54,-29.61,;21.05,-26.92,;21.81,-25.58,;19.51,-26.94,)|
Show InChI InChI=1S/C84H134N30O29S/c1-41(67(127)111-66(42(2)115)82(142)143)99-78(138)56-18-10-27-112(56)62(120)39-97-70(130)45(14-4-6-23-85)103-74(134)50(31-43-36-92-40-98-43)107-79(139)57-19-12-29-114(57)80(140)53(32-58(88)116)108-68(128)44(87)13-8-26-94-84(91)110-61(119)38-96-77(137)55-17-11-28-113(55)81(141)54(35-65(125)126)109-76(136)52(34-64(123)124)106-73(133)49(22-30-144-3)100-59(117)21-20-48-72(132)104-47(15-5-7-24-86)71(131)102-46(16-9-25-93-83(89)90)69(129)95-37-60(118)101-51(33-63(121)122)75(135)105-48/h36,40-42,44-57,66,115H,4-35,37-39,85-87H2,1-3H3,(H2,88,116)(H,92,98)(H,95,129)(H,96,137)(H,97,130)(H,99,138)(H,100,117)(H,101,118)(H,102,131)(H,103,134)(H,104,132)(H,105,135)(H,106,133)(H,107,139)(H,108,128)(H,109,136)(H,111,127)(H,121,122)(H,123,124)(H,125,126)(H,142,143)(H4,89,90,93)(H3,91,94,110,119)/t41-,42+,44-,45-,46?,47?,48?,49?,50-,51?,52?,53-,54?,55?,56-,57-,66-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of adhesion of K562 cells expressing alphaVbeta3 integrin receptor to vitronectin


J Med Chem 49: 3416-20 (2006)


Article DOI: 10.1021/jm060233m
BindingDB Entry DOI: 10.7270/Q23X87V0
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388195
PNG
(CHEMBL2059221)
Show SMILES OC(=O)c1n[nH]c2C3CC3Cc12
Show InChI InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)
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n/an/an/an/a 27.5n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388196
PNG
(CHEMBL2057614)
Show SMILES C[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4+,6-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388197
PNG
(CHEMBL2057615)
Show SMILES C[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,6+/m0/s1
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n/an/an/an/a 573n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388198
PNG
(CHEMBL2057619)
Show SMILES CC[C@@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C10H12N2O2/c1-2-4-5-3-6-8(7(4)5)11-12-9(6)10(13)14/h4-5,7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5+,7-/m1/s1
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n/an/an/an/a 43.4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388199
PNG
(CHEMBL2059222)
Show SMILES CCC[C@@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C11H14N2O2/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11(14)15/h5-6,8H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,6+,8-/m1/s1
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n/an/an/an/a 1.77E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388200
PNG
(CHEMBL2059223)
Show SMILES CCC[C@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C11H14N2O2/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11(14)15/h5-6,8H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,6-,8+/m0/s1
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n/an/an/an/a 1.63E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388201
PNG
(CHEMBL2059224)
Show SMILES CCCC[C@@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C12H16N2O2/c1-2-3-4-6-7-5-8-10(9(6)7)13-14-11(8)12(15)16/h6-7,9H,2-5H2,1H3,(H,13,14)(H,15,16)/t6-,7+,9-/m1/s1
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n/an/an/an/a 225n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388202
PNG
(CHEMBL2059225)
Show SMILES CCCC[C@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C12H16N2O2/c1-2-3-4-6-7-5-8-10(9(6)7)13-14-11(8)12(15)16/h6-7,9H,2-5H2,1H3,(H,13,14)(H,15,16)/t6-,7-,9+/m0/s1
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n/an/an/an/a 5.45E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388203
PNG
(CHEMBL2059226)
Show SMILES CCCCC[C@@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C13H18N2O2/c1-2-3-4-5-7-8-6-9-11(10(7)8)14-15-12(9)13(16)17/h7-8,10H,2-6H2,1H3,(H,14,15)(H,16,17)/t7-,8+,10-/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388204
PNG
(CHEMBL2059227)
Show SMILES CCCCC[C@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C13H18N2O2/c1-2-3-4-5-7-8-6-9-11(10(7)8)14-15-12(9)13(16)17/h7-8,10H,2-6H2,1H3,(H,14,15)(H,16,17)/t7-,8-,10+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388205
PNG
(CHEMBL2059821)
Show SMILES CC(C)C[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C12H16N2O2/c1-5(2)3-6-7-4-8-10(9(6)7)13-14-11(8)12(15)16/h5-7,9H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t6-,7+,9-/m1/s1
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n/an/an/an/a 81n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388206
PNG
(CHEMBL2059822)
Show SMILES CC(C)C[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C12H16N2O2/c1-5(2)3-6-7-4-8-10(9(6)7)13-14-11(8)12(15)16/h5-7,9H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t6-,7-,9+/m0/s1
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n/an/an/an/a 5.33E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388207
PNG
(CHEMBL2059823)
Show SMILES CC(C)CC[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C13H18N2O2/c1-6(2)3-4-7-8-5-9-11(10(7)8)14-15-12(9)13(16)17/h6-8,10H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t7-,8+,10-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388208
PNG
(CHEMBL2059824)
Show SMILES CC(C)CC[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C13H18N2O2/c1-6(2)3-4-7-8-5-9-11(10(7)8)14-15-12(9)13(16)17/h6-8,10H,3-5H2,1-2H3,(H,14,15)(H,16,17)/t7-,8-,10+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388209
PNG
(CHEMBL2057235)
Show SMILES CC1(C)C2Cc3c([nH]nc3C(O)=O)C12
Show InChI InChI=1S/C10H12N2O2/c1-10(2)5-3-4-7(6(5)10)11-12-8(4)9(13)14/h5-6H,3H2,1-2H3,(H,11,12)(H,13,14)
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n/an/an/an/a 1.02E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388210
PNG
(CHEMBL2059825)
Show SMILES OC(=O)c1n[nH]c2[C@H]3[C@@H](Cc12)[C@H]3C=C |r|
Show InChI InChI=1S/C10H10N2O2/c1-2-4-5-3-6-8(7(4)5)11-12-9(6)10(13)14/h2,4-5,7H,1,3H2,(H,11,12)(H,13,14)/t4-,5+,7-/m1/s1
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n/an/an/an/a 1.29E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388211
PNG
(CHEMBL2059826)
Show SMILES OC(=O)c1n[nH]c2[C@H]3[C@@H](Cc12)[C@@H]3C=C |r|
Show InChI InChI=1S/C10H10N2O2/c1-2-4-5-3-6-8(7(4)5)11-12-9(6)10(13)14/h2,4-5,7H,1,3H2,(H,11,12)(H,13,14)/t4-,5-,7+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388212
PNG
(CHEMBL2059827)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3[C@H](CC=C)[C@@H]3Cc12 |r|
Show InChI InChI=1S/C11H12N2O2/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11(14)15/h2,5-6,8H,1,3-4H2,(H,12,13)(H,14,15)/t5-,6+,8-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388213
PNG
(CHEMBL2059828)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3[C@@H](CC=C)[C@@H]3Cc12 |r|
Show InChI InChI=1S/C11H12N2O2/c1-2-3-5-6-4-7-9(8(5)6)12-13-10(7)11(14)15/h2,5-6,8H,1,3-4H2,(H,12,13)(H,14,15)/t5-,6-,8+/m0/s1
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n/an/an/an/a 227n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388214
PNG
(CHEMBL2059829)
Show SMILES OC(=O)c1n[nH]c2[C@H]3[C@@H](Cc12)[C@H]3C1CC1 |r|
Show InChI InChI=1S/C11H12N2O2/c14-11(15)10-6-3-5-7(4-1-2-4)8(5)9(6)12-13-10/h4-5,7-8H,1-3H2,(H,12,13)(H,14,15)/t5-,7+,8-/m0/s1
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n/an/an/an/a 1.98E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388215
PNG
(CHEMBL2057602)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3[C@H](CC4CC4)[C@@H]3Cc12 |r|
Show InChI InChI=1S/C12H14N2O2/c15-12(16)11-8-4-7-6(3-5-1-2-5)9(7)10(8)13-14-11/h5-7,9H,1-4H2,(H,13,14)(H,15,16)/t6-,7+,9-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388216
PNG
(CHEMBL2057603)
Show SMILES COC[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C10H12N2O3/c1-15-3-6-4-2-5-8(7(4)6)11-12-9(5)10(13)14/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,6+,7-/m0/s1
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n/an/an/an/a 141n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388217
PNG
(CHEMBL2057604)
Show SMILES COC[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C10H12N2O3/c1-15-3-6-4-2-5-8(7(4)6)11-12-9(5)10(13)14/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,6-,7-/m0/s1
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n/an/an/an/a 2.47E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388218
PNG
(CHEMBL2057605)
Show SMILES CSC[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C10H12N2O2S/c1-15-3-6-4-2-5-8(7(4)6)11-12-9(5)10(13)14/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,6+,7-/m0/s1
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n/an/an/an/a 83n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388219
PNG
(CHEMBL2057606)
Show SMILES CSC[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C10H12N2O2S/c1-15-3-6-4-2-5-8(7(4)6)11-12-9(5)10(13)14/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,6-,7-/m0/s1
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n/an/an/an/a 857n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388220
PNG
(CHEMBL2057607)
Show SMILES CCOC[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C11H14N2O3/c1-2-16-4-7-5-3-6-9(8(5)7)12-13-10(6)11(14)15/h5,7-8H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,7+,8-/m0/s1
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n/an/an/an/a 192n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388221
PNG
(CHEMBL2057608)
Show SMILES CCOC[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C11H14N2O3/c1-2-16-4-7-5-3-6-9(8(5)7)12-13-10(6)11(14)15/h5,7-8H,2-4H2,1H3,(H,12,13)(H,14,15)/t5-,7-,8-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388222
PNG
(CHEMBL2057609)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3[C@H](COc4ccccc4)[C@@H]3Cc12 |r|
Show InChI InChI=1S/C15H14N2O3/c18-15(19)14-10-6-9-11(12(9)13(10)16-17-14)7-20-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,16,17)(H,18,19)/t9-,11+,12-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388223
PNG
(CHEMBL2057611)
Show SMILES OC(=O)c1n[nH]c2C3C(Cc12)C31CCCCC1
Show InChI InChI=1S/C13H16N2O2/c16-12(17)11-7-6-8-9(10(7)14-15-11)13(8)4-2-1-3-5-13/h8-9H,1-6H2,(H,14,15)(H,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388224
PNG
(CHEMBL2057612)
Show SMILES OC(=O)c1n[nH]c2[C@H]3[C@@H](Cc12)[C@@H]3c1ccccc1 |r|
Show InChI InChI=1S/C14H12N2O2/c17-14(18)13-9-6-8-10(7-4-2-1-3-5-7)11(8)12(9)15-16-13/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18)/t8-,10-,11-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388225
PNG
(CHEMBL2057613)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3[C@@H](Cc4ccccc4)[C@@H]3Cc12 |r|
Show InChI InChI=1S/C15H14N2O2/c18-15(19)14-11-7-10-9(12(10)13(11)16-17-14)6-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,16,17)(H,18,19)/t9-,10-,12+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388196
PNG
(CHEMBL2057614)
Show SMILES C[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4+,6-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388197
PNG
(CHEMBL2057615)
Show SMILES C[C@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,6+/m0/s1
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n/an/an/an/a 573n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388226
PNG
(CHEMBL2057616)
Show SMILES C[C@H]1[C@H]2Cc3c([nH]nc3C(O)=O)[C@@H]12 |r|
Show InChI InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4+,6-/m0/s1
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n/an/an/an/a 1.17E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388227
PNG
(CHEMBL2059228)
Show SMILES CC(C)[C@@H]1[C@@H]2Cc3c([nH]nc3C(O)=O)[C@H]12 |r|
Show InChI InChI=1S/C11H14N2O2/c1-4(2)7-5-3-6-9(8(5)7)12-13-10(6)11(14)15/h4-5,7-8H,3H2,1-2H3,(H,12,13)(H,14,15)/t5-,7+,8-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388228
PNG
(CHEMBL2057610)
Show SMILES OC(=O)c1n[nH]c2C3C(Cc12)C31CCCC1
Show InChI InChI=1S/C12H14N2O2/c15-11(16)10-6-5-7-8(9(6)13-14-10)12(7)3-1-2-4-12/h7-8H,1-5H2,(H,13,14)(H,15,16)
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n/an/an/an/a 14n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388229
PNG
(CHEMBL2057617)
Show SMILES C[C@@H]1[C@H]2Cc3c([nH]nc3C(O)=O)[C@@H]12 |r|
Show InChI InChI=1S/C9H10N2O2/c1-3-4-2-5-7(6(3)4)10-11-8(5)9(12)13/h3-4,6H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,6+/m1/s1
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n/an/an/an/a 2.13E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388230
PNG
(CHEMBL2057618)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3C[C@@H]3Cc12 |r|
Show InChI InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
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n/an/an/an/a 12.9n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388198
PNG
(CHEMBL2057619)
Show SMILES CC[C@@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C10H12N2O2/c1-2-4-5-3-6-8(7(4)5)11-12-9(6)10(13)14/h4-5,7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5+,7-/m1/s1
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n/an/an/an/a 43.4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388231
PNG
(CHEMBL2057620)
Show SMILES CC[C@H]1[C@@H]2Cc3c(n[nH]c3[C@H]12)C(O)=O |r|
Show InChI InChI=1S/C10H12N2O2/c1-2-4-5-3-6-8(7(4)5)11-12-9(6)10(13)14/h4-5,7H,2-3H2,1H3,(H,11,12)(H,13,14)/t4-,5-,7+/m0/s1
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n/an/an/an/a 276n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50388215
PNG
(CHEMBL2057602)
Show SMILES OC(=O)c1n[nH]c2[C@@H]3[C@H](CC4CC4)[C@@H]3Cc12 |r|
Show InChI InChI=1S/C12H14N2O2/c15-12(16)11-8-4-7-6(3-5-1-2-5)9(7)10(8)13-14-11/h5-7,9H,1-4H2,(H,13,14)(H,15,16)/t6-,7+,9-/m1/s1
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n/an/an/an/a 85n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP production by HTRF assay


J Med Chem 55: 3644-66 (2012)


Article DOI: 10.1021/jm2010964
BindingDB Entry DOI: 10.7270/Q2000353
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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n/an/an/an/a 1.12E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 3.20E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 4.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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n/an/an/an/a 2.50E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 150n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 240n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 60n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
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