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Compile Data Set for Download or QSAR

Found 362 hits with Last Name = 'judd' and Initial = 'as'   
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139051
PNG
(US8883784, 12)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H38F3N7O6S5/c1-49(2)19-18-26(23-57-27-10-4-3-5-11-27)44-32-16-15-28(21-35(32)60(53,54)40(41,42)43)61(55,56)48-37(52)33-24-58-39(46-33)50-20-17-25-9-8-12-29(30(25)22-50)36(51)47-38-45-31-13-6-7-14-34(31)59-38/h3-16,21,24,26,44H,17-20,22-23H2,1-2H3,(H,48,52)(H,45,47,51)/t26-/m1/s1
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0.0400 -59.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139050
PNG
(US8883784, 11)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H40F3N7O6S4/c1-50(2)22-9-21-45-32-18-17-28(24-35(32)60(54,55)41(42,43)44)61(56,57)49-38(53)36-34(19-16-26-10-4-3-5-11-26)59-40(47-36)51-23-20-27-12-8-13-29(30(27)25-51)37(52)48-39-46-31-14-6-7-15-33(31)58-39/h3-8,10-15,17-18,24,45H,9,16,19-23,25H2,1-2H3,(H,49,53)(H,46,48,52)
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0.0600 -58.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139041
PNG
(US8883784, 2)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
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0.100 -57.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139040
PNG
(US8883784, 1)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1
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0.100 -57.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139049
PNG
(US8883784, 10)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H40N8O7S4/c50-38(45-40-43-34-11-4-5-12-37(34)59-40)31-10-6-7-27-15-18-48(24-32(27)31)41-44-35(26-58-41)39(51)46-60(54,55)30-13-14-33(36(23-30)49(52)53)42-28(16-17-47-19-21-56-22-20-47)25-57-29-8-2-1-3-9-29/h1-14,23,26,28,42H,15-22,24-25H2,(H,46,51)(H,43,45,50)/t28-/m1/s1
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0.140 -56.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139053
PNG
(US8883784, 14)
Show SMILES OCC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H33F3N6O7S5/c39-38(40,41)58(51,52)33-19-26(13-14-30(33)42-24(16-18-48)21-55-25-8-2-1-3-9-25)59(53,54)46-35(50)31-22-56-37(44-31)47-17-15-23-7-6-10-27(28(23)20-47)34(49)45-36-43-29-11-4-5-12-32(29)57-36/h1-14,19,22,24,42,48H,15-18,20-21H2,(H,46,50)(H,43,45,49)/t24-/m1/s1
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0.200 -55.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139052
PNG
(US8883784, 13)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H40N8O6S3/c1-46(2)22-9-21-41-31-18-17-28(24-33(31)48(51)52)57(53,54)45-38(50)36-35(19-16-26-10-4-3-5-11-26)56-40(43-36)47-23-20-27-12-8-13-29(30(27)25-47)37(49)44-39-42-32-14-6-7-15-34(32)55-39/h3-8,10-15,17-18,24,41H,9,16,19-23,25H2,1-2H3,(H,45,50)(H,42,44,49)
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0.800 -51.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12656
PNG
(((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...)
Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3|
Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1
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1.30 -50.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139046
PNG
(US8883784, 7)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H32F3N7O6S4/c1-42(2)15-6-14-37-25-12-11-21(17-28(25)52(46,47)33(34,35)36)53(48,49)41-30(45)26-19-50-32(39-26)43-16-13-20-7-5-8-22(23(20)18-43)29(44)40-31-38-24-9-3-4-10-27(24)51-31/h3-5,7-12,17,19,37H,6,13-16,18H2,1-2H3,(H,41,45)(H,38,40,44)
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1.70 -50.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12654
PNG
((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...)
Show SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H19F3N2O2/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-27-13-3-1-2-12(7-13)20(25)26/h1-4,7-9,14,19H,5-6,10,24H2,(H2,25,26)/p+1/t14-,19+/m1/s1
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3.60 -47.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12655
PNG
((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...)
Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1
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4.70 -47.1n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139054
PNG
(US8883784, 15)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H42N8O6S3/c1-47(2)23-10-22-42-32-20-19-29(25-34(32)49(52)53)58(54,55)46-39(51)37-36(18-8-13-27-11-4-3-5-12-27)57-41(44-37)48-24-21-28-14-9-15-30(31(28)26-48)38(50)45-40-43-33-16-6-7-17-35(33)56-40/h3-7,9,11-12,14-17,19-20,25,42H,8,10,13,18,21-24,26H2,1-2H3,(H,46,51)(H,43,45,50)
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5 -47.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12653
PNG
((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1
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6 -46.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139043
PNG
(US8883784, 4)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C43H44N8O6S2/c1-49(2)25-10-24-44-35-21-20-32(27-37(35)51(54)55)59(56,57)48-42(53)40-31(15-8-13-29-11-4-3-5-12-29)19-22-39(46-40)50-26-23-30-14-9-16-33(34(30)28-50)41(52)47-43-45-36-17-6-7-18-38(36)58-43/h3-7,9,11-12,14,16-22,27,44H,8,10,13,15,23-26,28H2,1-2H3,(H,48,53)(H,45,47,52)
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9 -45.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139047
PNG
(US8883784, 8)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H38F3N7O6S4/c1-49(2)20-9-19-44-31-17-16-27(23-34(31)59(53,54)40(41,42)43)60(55,56)48-37(52)35-33(22-25-10-4-3-5-11-25)58-39(46-35)50-21-18-26-12-8-13-28(29(26)24-50)36(51)47-38-45-30-14-6-7-15-32(30)57-38/h3-8,10-17,23,44H,9,18-22,24H2,1-2H3,(H,48,52)(H,45,47,51)
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11 -45.4n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139042
PNG
(US8883784, 3)
Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1cccc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C44H42F3N7O7S4/c45-44(46,47)64(57,58)39-26-32(16-17-36(39)48-30(19-20-53-22-24-61-25-23-53)28-62-31-9-2-1-3-10-31)65(59,60)52-42(56)37-13-7-15-40(49-37)54-21-18-29-8-6-11-33(34(29)27-54)41(55)51-43-50-35-12-4-5-14-38(35)63-43/h1-17,26,30,48H,18-25,27-28H2,(H,52,56)(H,50,51,55)/t30-/m1/s1
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12 -45.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12652
PNG
((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...)
Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1
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12 -44.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139045
PNG
(US8883784, 6)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(ccc1CCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H42N8O6S2/c1-48(2)24-9-23-43-34-20-19-31(26-36(34)50(53)54)58(55,56)47-41(52)39-30(17-16-28-10-4-3-5-11-28)18-21-38(45-39)49-25-22-29-12-8-13-32(33(29)27-49)40(51)46-42-44-35-14-6-7-15-37(35)57-42/h3-8,10-15,18-21,26,43H,9,16-17,22-25,27H2,1-2H3,(H,47,52)(H,44,46,51)
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17 -44.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139048
PNG
(US8883784, 9)
Show SMILES CN(C)CCCNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1nc(sc1Cc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H38N8O6S3/c1-45(2)20-9-19-40-30-17-16-27(23-32(30)47(50)51)56(52,53)44-37(49)35-34(22-25-10-4-3-5-11-25)55-39(42-35)46-21-18-26-12-8-13-28(29(26)24-46)36(48)43-38-41-31-14-6-7-15-33(31)54-38/h3-8,10-17,23,40H,9,18-22,24H2,1-2H3,(H,44,49)(H,41,43,48)
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41 -42.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12651
PNG
((1S,6R)-3-[(4-carboxypiperidin-1-yl)methyl]-6-(2,4...)
Show SMILES [NH3+][C@H]1CC(CN2CCC(CC2)C(O)=O)=CC[C@@H]1c1ccc(Cl)cc1Cl |r,c:14|
Show InChI InChI=1S/C19H24Cl2N2O2/c20-14-2-4-15(17(21)10-14)16-3-1-12(9-18(16)22)11-23-7-5-13(6-8-23)19(24)25/h1-2,4,10,13,16,18H,3,5-9,11,22H2,(H,24,25)/p+1/t16-,18+/m1/s1
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45 -41.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139044
PNG
(US8883784, 5)
Show SMILES CN(C)CCCNc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1nc(ccc1CCCc1ccccc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C44H44F3N7O6S3/c1-53(2)25-10-24-48-36-21-20-32(27-38(36)62(57,58)44(45,46)47)63(59,60)52-42(56)40-31(15-8-13-29-11-4-3-5-12-29)19-22-39(50-40)54-26-23-30-14-9-16-33(34(30)28-54)41(55)51-43-49-35-17-6-7-18-37(35)61-43/h3-7,9,11-12,14,16-22,27,48H,8,10,13,15,23-26,28H2,1-2H3,(H,52,56)(H,49,51,55)
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48 -41.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM12652
PNG
((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...)
Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1
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73 -40.3n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12650
PNG
((1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1...)
Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1ccccc1Cl)c1ccccc1 |r,c:3|
Show InChI InChI=1S/C18H18ClN/c19-17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)13-6-2-1-3-7-13/h1-10,16,18H,11-12,20H2/p+1/t16-,18+/m1/s1
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<140<-38.7n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12653
PNG
((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1
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230 -37.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12652
PNG
((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...)
Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1
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310 -36.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM12654
PNG
((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...)
Show SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H19F3N2O2/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-27-13-3-1-2-12(7-13)20(25)26/h1-4,7-9,14,19H,5-6,10,24H2,(H2,25,26)/p+1/t14-,19+/m1/s1
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430 -36.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM12653
PNG
((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...)
Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1
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500 -35.6n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12654
PNG
((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...)
Show SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
Show InChI InChI=1S/C20H19F3N2O2/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-27-13-3-1-2-12(7-13)20(25)26/h1-4,7-9,14,19H,5-6,10,24H2,(H2,25,26)/p+1/t14-,19+/m1/s1
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560 -35.3n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12649
PNG
((1S,6R)-6-(2-chlorophenyl)cyclohex-3-en-1-amine | ...)
Show SMILES N[C@H]1CC=CC[C@@H]1c1ccccc1Cl |r,c:3|
Show InChI InChI=1S/C12H14ClN/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-5,7,10,12H,6,8,14H2/t10-,12+/m1/s1
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820 -34.4n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM12656
PNG
(((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...)
Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3|
Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1
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4.00E+3 -30.5n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12655
PNG
((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...)
Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1
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8.80E+3 -28.6n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM12655
PNG
((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...)
Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1
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1.40E+4 -27.4n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM12656
PNG
(((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...)
Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3|
Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1
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>3.00E+4>-25.6n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


J Med Chem 49: 6439-42 (2006)


Article DOI: 10.1021/jm060955d
BindingDB Entry DOI: 10.7270/Q2G73BXR
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50202681
PNG
(7-fluoro-4-oxo-N-(1-((2-oxo-2H-chromen-7-yl)methyl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C25H21FN2O5/c26-17-4-5-19-20(29)13-23(32-22(19)12-17)25(31)27-18-7-9-28(10-8-18)14-15-1-2-16-3-6-24(30)33-21(16)11-15/h1-6,11-13,18H,7-10,14H2,(H,27,31)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 874-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.065
BindingDB Entry DOI: 10.7270/Q2D50MMK
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50185040
PNG
(CHEMBL204828 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Clc1cc2oc(cc(=O)c2cc1Cl)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20Cl2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50162116
PNG
(2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...)
Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inihibition of melanin concentrating hormone receptor 1 from human neuronal IMR-32 cells


J Med Chem 48: 1318-21 (2005)


Article DOI: 10.1021/jm0490890
BindingDB Entry DOI: 10.7270/Q2794459
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50162116
PNG
(2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...)
Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Melanin-concentrating hormone receptor 1 in diet-induced obese mice


Bioorg Med Chem Lett 15: 2752-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.114
BindingDB Entry DOI: 10.7270/Q2QJ7GSD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50162116
PNG
(2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)e...)
Show SMILES O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2cnn(CCN3CCCC3)c2c1
Show InChI InChI=1S/C28H30N4O2/c33-28(18-22-8-12-26(13-9-22)34-21-23-6-2-1-3-7-23)30-25-11-10-24-20-29-32(27(24)19-25)17-16-31-14-4-5-15-31/h1-3,6-13,19-20H,4-5,14-18,21H2,(H,30,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50167565
PNG
(1-[1-(2-Isobutylamino-ethyl)-1H-indazol-5-yl]-3-(4...)
Show SMILES CC(C)CNCCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12
Show InChI InChI=1S/C26H29N5O2/c1-19(2)17-27-14-15-31-25-13-10-22(16-20(25)18-28-31)30-26(32)29-21-8-11-24(12-9-21)33-23-6-4-3-5-7-23/h3-13,16,18-19,27H,14-15,17H2,1-2H3,(H2,29,30,32)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse Melanin-concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


Bioorg Med Chem Lett 15: 2752-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.114
BindingDB Entry DOI: 10.7270/Q2QJ7GSD
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197136
PNG
(CHEMBL387178 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Fc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H20F2N2O5/c24-16-8-15-18(28)10-22(32-20(15)9-17(16)25)23(29)26-14-3-5-27(6-4-14)11-13-1-2-19-21(7-13)31-12-30-19/h1-2,7-10,14H,3-6,11-12H2,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197143
PNG
(CHEMBL277531 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Cc1c(oc2cc(Cl)ccc2c1=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23ClN2O5/c1-14-22(28)18-4-3-16(25)11-20(18)32-23(14)24(29)26-17-6-8-27(9-7-17)12-15-2-5-19-21(10-15)31-13-30-19/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50197135
PNG
(CHEMBL217442 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES COc1cc2oc(cc(=O)c2cc1F)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23FN2O6/c1-30-21-11-20-16(9-17(21)25)18(28)10-23(33-20)24(29)26-15-4-6-27(7-5-15)12-14-2-3-19-22(8-14)32-13-31-19/h2-3,8-11,15H,4-7,12-13H2,1H3,(H,26,29)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50171590
PNG
(CHEMBL194697 | N-(1-Benzo[1,3]dioxol-5-ylmethyl-pi...)
Show SMILES Clc1ccc(NCc2nccs2)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O3S/c25-17-2-3-20(27-13-23-26-7-10-33-23)19(12-17)24(30)28-18-5-8-29(9-6-18)14-16-1-4-21-22(11-16)32-15-31-21/h1-4,7,10-12,18,27H,5-6,8-9,13-15H2,(H,28,30)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173461
PNG
(4-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-ylami...)
Show SMILES Clc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C22H21ClN2O4/c23-15-2-4-19-17(10-15)18(11-22(26)29-19)24-16-5-7-25(8-6-16)12-14-1-3-20-21(9-14)28-13-27-20/h1-4,9-11,16,24H,5-8,12-13H2
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration aganist melanin concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


J Med Chem 48: 5888-91 (2005)


Article DOI: 10.1021/jm050598r
BindingDB Entry DOI: 10.7270/Q2QJ7GTV
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50173460
PNG
(4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-y...)
Show SMILES COc1ccc2oc(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show InChI InChI=1S/C23H24N2O5/c1-27-17-3-5-20-18(11-17)19(12-23(26)30-20)24-16-6-8-25(9-7-16)13-15-2-4-21-22(10-15)29-14-28-21/h2-5,10-12,16,24H,6-9,13-14H2,1H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from MCHr1 expressed in IMR32 (I3.4.2) cells


J Med Chem 49: 2339-52 (2006)


Article DOI: 10.1021/jm0512286
BindingDB Entry DOI: 10.7270/Q24F1Q9F
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50207679
PNG
(CHEMBL246258 | N-(1-(2-chloro-4-((2-(pyrrolidin-1-...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(cc2Cl)C(=O)NCCN2CCCC2)CC1
Show InChI InChI=1S/C29H32ClFN4O4/c30-24-15-19(28(37)32-9-14-34-10-1-2-11-34)3-4-20(24)18-35-12-7-22(8-13-35)33-29(38)27-17-25(36)23-6-5-21(31)16-26(23)39-27/h3-6,15-17,22H,1-2,7-14,18H2,(H,32,37)(H,33,38)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50167552
PNG
(1-[1-(2-Cyclopentylamino-ethyl)-1H-indazol-5-yl]-3...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCNC3CCCC3)ncc2c1
Show InChI InChI=1S/C27H29N5O2/c33-27(30-22-10-13-25(14-11-22)34-24-8-2-1-3-9-24)31-23-12-15-26-20(18-23)19-29-32(26)17-16-28-21-6-4-5-7-21/h1-3,8-15,18-19,21,28H,4-7,16-17H2,(H2,30,31,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse Melanin-concentrating hormone receptor 1 expressed in IMR-32 cells using [125I]-MCH


Bioorg Med Chem Lett 15: 2752-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.114
BindingDB Entry DOI: 10.7270/Q2QJ7GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50197116
PNG
(CHEMBL217706 | N-[1-(1,3-benzodioxol-5-ylmethyl)pi...)
Show SMILES Brc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H21BrN2O5/c24-15-2-3-17-18(27)11-22(31-20(17)10-15)23(28)25-16-5-7-26(8-6-16)12-14-1-4-19-21(9-14)30-13-29-19/h1-4,9-11,16H,5-8,12-13H2,(H,25,28)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from hERG


J Med Chem 49: 6569-84 (2006)


Article DOI: 10.1021/jm060683e
BindingDB Entry DOI: 10.7270/Q2NG4Q7P
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50201274
PNG
(CHEMBL215661 | N-(1-(6-acetamido-2,3-dihydro-1H-in...)
Show SMILES CC(=O)Nc1ccc2CCC(N3CCC(CC3)NC(=O)c3cc(=O)c4ccc(F)cc4o3)c2c1
Show InChI InChI=1S/C26H26FN3O4/c1-15(31)28-19-5-2-16-3-7-22(21(16)13-19)30-10-8-18(9-11-30)29-26(33)25-14-23(32)20-6-4-17(27)12-24(20)34-25/h2,4-6,12-14,18,22H,3,7-11H2,1H3,(H,28,31)(H,29,33)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of 125I-MCH from MCH-R1 expressed in IMR-32 cells


Bioorg Med Chem Lett 17: 884-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.061
BindingDB Entry DOI: 10.7270/Q2J38S6V
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50207681
PNG
(CHEMBL248297 | N-(1-(3-fluoro-4-(3-(piperidin-1-yl...)
Show SMILES Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc(OCCCN3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H35F2N3O4/c31-22-6-7-24-26(36)19-29(39-28(24)18-22)30(37)33-23-9-14-35(15-10-23)20-21-5-8-27(25(32)17-21)38-16-4-13-34-11-2-1-3-12-34/h5-8,17-19,23H,1-4,9-16,20H2,(H,33,37)
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from MCHR1 expressed in IMR32 cells


Bioorg Med Chem Lett 17: 2365-71 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.068
BindingDB Entry DOI: 10.7270/Q2N29WNW
More data for this
Ligand-Target Pair
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