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Compile Data Set for Download or QSAR

Found 1221 hits with Last Name = 'schmidt' and Initial = 'w'   
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
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059585
PNG
(CHEMBL442323 | N-CPM[D-Pro-10]Dyn A-(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C67H109N21O13/c1-5-40(4)55(62(98)84-47(20-13-31-77-67(73)74)63(99)88-32-14-21-52(88)61(97)85-48(64(100)101)17-9-10-28-68)87-58(94)46(19-12-30-76-66(71)72)82-57(93)45(18-11-29-75-65(69)70)83-59(95)50(33-39(2)3)86-60(96)51(35-41-15-7-6-8-16-41)81-54(91)38-79-53(90)37-80-56(92)49(78-36-43-22-23-43)34-42-24-26-44(89)27-25-42/h6-8,15-16,24-27,39-40,43,45-52,55,78,89H,5,9-14,17-23,28-38,68H2,1-4H3,(H,79,90)(H,80,92)(H,81,91)(H,82,93)(H,83,95)(H,84,98)(H,85,97)(H,86,96)(H,87,94)(H,100,101)(H4,69,70,75)(H4,71,72,76)(H4,73,74,77)/t40-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059583
PNG
(CHEMBL268818 | N-benzyl[D-Pro-10]Dyn A-(1-11) | Ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
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0.0290n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059586
PNG
(CHEMBL406338 | N-allyl[D-Pro-10]Dyn A-(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C66H107N21O13/c1-6-29-74-48(35-42-24-26-43(88)27-25-42)55(91)79-37-52(89)78-38-53(90)80-50(36-41-17-9-8-10-18-41)59(95)85-49(34-39(3)4)58(94)82-44(20-13-30-75-64(68)69)56(92)81-45(21-14-31-76-65(70)71)57(93)86-54(40(5)7-2)61(97)83-46(22-15-32-77-66(72)73)62(98)87-33-16-23-51(87)60(96)84-47(63(99)100)19-11-12-28-67/h6,8-10,17-18,24-27,39-40,44-51,54,74,88H,1,7,11-16,19-23,28-38,67H2,2-5H3,(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,95)(H,86,93)(H,99,100)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50059581
PNG
(CHEMBL406893 | N,N-diCPM[D-Pro-10]Dyn A-(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CC1CC1)CC1CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C71H115N21O13/c1-5-43(4)59(66(102)87-51(20-13-33-81-71(77)78)67(103)92-34-14-21-55(92)65(101)88-52(68(104)105)17-9-10-30-72)90-61(97)50(19-12-32-80-70(75)76)85-60(96)49(18-11-31-79-69(73)74)86-62(98)53(35-42(2)3)89-63(99)54(36-44-15-7-6-8-16-44)84-58(95)39-82-57(94)38-83-64(100)56(37-45-26-28-48(93)29-27-45)91(40-46-22-23-46)41-47-24-25-47/h6-8,15-16,26-29,42-43,46-47,49-56,59,93H,5,9-14,17-25,30-41,72H2,1-4H3,(H,82,94)(H,83,100)(H,84,95)(H,85,96)(H,86,98)(H,87,102)(H,88,101)(H,89,99)(H,90,97)(H,104,105)(H4,73,74,79)(H4,75,76,80)(H4,77,78,81)/t43-,49-,50-,51-,52-,53-,54-,55-,56-,59-/m0/s1
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0.190n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor kappa 1 was determined by measuring the inhibition of [3H]-bremazocine binding to guinea pig cerebellar membranes


J Med Chem 40: 2733-9 (1997)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50002346
PNG
(CHEMBL384584 | [D-pro10]Dynorphin A(1-11))
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C63H103N21O13/c1-5-37(4)51(58(94)80-44(20-13-29-74-63(70)71)59(95)84-30-14-21-48(84)57(93)81-45(60(96)97)17-9-10-26-64)83-54(90)43(19-12-28-73-62(68)69)78-53(89)42(18-11-27-72-61(66)67)79-55(91)46(31-36(2)3)82-56(92)47(33-38-15-7-6-8-16-38)77-50(87)35-75-49(86)34-76-52(88)41(65)32-39-22-24-40(85)25-23-39/h6-8,15-16,22-25,36-37,41-48,51,85H,5,9-14,17-21,26-35,64-65H2,1-4H3,(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H,79,91)(H,80,94)(H,81,93)(H,82,92)(H,83,90)(H,96,97)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,41-,42-,43-,44-,45-,46-,47-,48+,51-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Affinity against Opioid receptor mu 1 was determined by measuring the inhibition of [3H]-DAMGO binding to rat forebrain membranes


J Med Chem 40: 2733-9 (1997)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50037135
PNG
((4aR,7aR,12bS)-3-Cyclopropylmethyl-9-hydroxy-2,3,4...)
Show SMILES Oc1cccc2c1O[C@H]1C(=O)CC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H23NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,18,21H,4-11H2/t13-,18-,19-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398597
PNG
(CHEMBL2179584)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCC4)c23)CC1
Show InChI InChI=1S/C21H30N2O3/c1-2-3-12-23-13-10-16(11-14-23)15-24-21-20-18(25-17-6-4-7-17)8-5-9-19(20)26-22-21/h5,8-9,16-17H,2-4,6-7,10-15H2,1H3
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0.270n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398593
PNG
(CHEMBL2179587)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1
Show InChI InChI=1S/C21H32N2O3/c1-4-5-11-23-12-9-17(10-13-23)15-25-21-20-18(24-14-16(2)3)7-6-8-19(20)26-22-21/h6-8,16-17H,4-5,9-15H2,1-3H3
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0.290n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4E receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4A receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398596
PNG
(CHEMBL2179589)
Show SMILES CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C23H34N2O5/c1-17(2)14-28-19-4-3-5-20-21(19)22(24-30-20)29-15-18-6-10-25(11-7-18)16-23(26)8-12-27-13-9-23/h3-5,17-18,26H,6-16H2,1-2H3
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0.360n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398598
PNG
(CHEMBL2152922)
Show SMILES OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
Show InChI InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1
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0.460n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4B receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50350987
PNG
(CHEMBL1818233)
Show SMILES CC1(O)CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC2)CC1
Show InChI InChI=1S/C23H30N2O3S/c1-23(26)12-16-24(17-13-23)18-19-8-10-20(11-9-19)21-6-2-3-7-22(21)29(27,28)25-14-4-5-15-25/h2-3,6-11,26H,4-5,12-18H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398599
PNG
(CHEMBL2179580)
Show SMILES O[C@@H]1CC[C@H](C1)Oc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12
Show InChI InChI=1S/C24H34N2O6/c27-18-4-5-19(14-18)31-20-2-1-3-21-22(20)23(25-32-21)30-15-17-6-10-26(11-7-17)16-24(28)8-12-29-13-9-24/h1-3,17-19,27-28H,4-16H2/t18-,19-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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0.570n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.710n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2


J Med Chem 39: 143-8 (1996)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398594
PNG
(CHEMBL2179585)
Show SMILES CCCCN1CCC(COc2noc3cccc(OC4CCCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-13-24-14-11-17(12-15-24)16-25-22-21-19(26-18-7-4-5-8-18)9-6-10-20(21)27-23-22/h6,9-10,17-18H,2-5,7-8,11-16H2,1H3
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0.740n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50306288
PNG
(4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperi...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-11-13-22(14-12-21)26(23-7-5-8-24(29)17-23)15-6-16-27(19-26)18-20-9-10-20/h5,7-8,11-14,17,20,29H,3-4,6,9-10,15-16,18-19H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.850n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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0.890n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401001
PNG
(CHEMBL2206288)
Show SMILES C([C@H]1C[C@H](C1)c1ccc(CN2CCCC2)cc1)N1CCOCC1
Show InChI InChI=1S/C20H30N2O/c1-2-8-21(7-1)15-17-3-5-19(6-4-17)20-13-18(14-20)16-22-9-11-23-12-10-22/h3-6,18,20H,1-2,7-16H2/t18-,20+
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0.891n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50306298
PNG
(CHEMBL595472 | N,N-diethyl-4-(4-(3-hydroxyphenyl)-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCN(CCc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50398595
PNG
(CHEMBL2179586)
Show SMILES CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1
Show InChI InChI=1S/C22H32N2O3/c1-2-3-12-24-13-10-18(11-14-24)16-26-22-21-19(25-15-17-6-4-7-17)8-5-9-20(21)27-23-22/h5,8-9,17-18H,2-4,6-7,10-16H2,1H3
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0.970n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4D receptor expressed in HEK293 cells after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50283327
PNG
(1-Cyclopropylmethyl-4-[2-(3-phenyl-prop-2-ynyloxy)...)
Show SMILES C(CC1CCN(CC2CC2)CC1)OCC#Cc1ccccc1
Show InChI InChI=1S/C20H27NO/c1-2-5-18(6-3-1)7-4-15-22-16-12-19-10-13-21(14-11-19)17-20-8-9-20/h1-3,5-6,19-20H,8-17H2
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sigma receptor using [3H]-(+)-SKF-10,047 as radioligand


Bioorg Med Chem Lett 4: 2347-2352 (1994)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098551
PNG
((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...)
Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
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1n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50154716
PNG
((-)-1-Methyl-4-(8-methylsulfanyl-10,11-dihydro-dib...)
Show SMILES CSc1ccc2Sc3ccccc3C[C@H](N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1
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1n/an/an/an/an/an/an/an/a



State University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-HT7 receptor expressed in HEK cells


J Med Chem 47: 5451-66 (2004)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50309873
PNG
(4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells


J Med Chem 53: 1222-37 (2010)

More data for this
Ligand-Target Pair
Sigma


()
BDBM50002254
PNG
(2-(1-Benzyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-et...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H22FNO/c21-19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-2-1-3-5-17/h1-9,16H,10-15H2
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1n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.05n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50350958
PNG
(CHEMBL1818236)
Show SMILES OCCC1CCN(Cc2ccc(cc2)-c2ccccc2S(=O)(=O)N2CCCC[C@H]2CO)CC1
Show InChI InChI=1S/C26H36N2O4S/c29-18-14-21-12-16-27(17-13-21)19-22-8-10-23(11-9-22)25-6-1-2-7-26(25)33(31,32)28-15-4-3-5-24(28)20-30/h1-2,6-11,21,24,29-30H,3-5,12-20H2/t24-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting


J Med Chem 54: 5868-77 (2011)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50000788
PNG
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)


Citation and Details
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM50350976
PNG
(CHEMBL1818341)
Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50309864
PNG
(4-(5-Chlorobenzoxazol-2-yl)-1,4-diazabicyclo[3.2.2...)
Show SMILES Clc1ccc2oc(nc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C14H16ClN3O/c15-10-1-2-13-12(9-10)16-14(19-13)18-8-7-17-5-3-11(18)4-6-17/h1-2,9,11H,3-8H2
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells


J Med Chem 53: 1222-37 (2010)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50037134
PNG
((+)-trans-3-Cyclopropylmethyl-2,3,4,4aalpha,5,6,7,...)
Show SMILES Oc1cccc2c1O[C@H]1CCC[C@H]3CN(CC4CC4)CC[C@]213
Show InChI InChI=1S/C19H25NO2/c21-16-5-2-4-15-18(16)22-17-6-1-3-14-12-20(11-13-7-8-13)10-9-19(14,15)17/h2,4-5,13-14,17,21H,1,3,6-12H2/t14-,17-,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
In vivo binding affinity against kappa opioid receptor was measured by using labeled ligand [3H]-ethylketocyclazocine (1 nM) with 500 nM DADLE and 20...


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50306293
PNG
(4-(1-((1H-imidazol-2-yl)methyl)-3-(3-hydroxyphenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C1(CCCN(Cc2ncc[nH]2)C1)c1cccc(O)c1
Show InChI InChI=1S/C26H32N4O2/c1-3-30(4-2)25(32)20-9-11-21(12-10-20)26(22-7-5-8-23(31)17-22)13-6-16-29(19-26)18-24-27-14-15-28-24/h5,7-12,14-15,17,31H,3-4,6,13,16,18-19H2,1-2H3,(H,27,28)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]diprenorphine from human delta opioid receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 503-7 (2010)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401007
PNG
(CHEMBL209478)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C18H24N2/c1-19(2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3)4/h5-12H,13-14H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401007
PNG
(CHEMBL209478)
Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C18H24N2/c1-19(2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-20(3)4/h5-12H,13-14H2,1-4H3
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1.32n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50037131
PNG
((4aR,7S,7aR,12bS)-3-Cyclopropylmethyl-2,3,4,4a,5,6...)
Show SMILES O[C@H]1CC[C@H]2CN(CC3CC3)CC[C@]22[C@H]1Oc1c2cccc1O
Show InChI InChI=1S/C19H25NO3/c21-15-3-1-2-14-17(15)23-18-16(22)7-6-13-11-20(10-12-4-5-12)9-8-19(13,14)18/h1-3,12-13,16,18,21-22H,4-11H2/t13-,16-,18-,19-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
In vivo binding affinity against mu opioid receptor was measured by using labeled ligand [3H]-Naloxone (0.5 nM)


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401002
PNG
(CHEMBL2206292)
Show SMILES CC(C)CNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)/t16-,20-
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1.45n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from human histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401004
PNG
(CHEMBL2206291)
Show SMILES CCN(C)C(=O)[C@H]1C[C@H](C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C19H27FN2O/c1-3-21(2)19(23)17-10-16(11-17)14-6-7-15(18(20)12-14)13-22-8-4-5-9-22/h6-7,12,16-17H,3-5,8-11,13H2,1-2H3/t16-,17+
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1.48n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401004
PNG
(CHEMBL2206291)
Show SMILES CCN(C)C(=O)[C@H]1C[C@H](C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C19H27FN2O/c1-3-21(2)19(23)17-10-16(11-17)14-6-7-15(18(20)12-14)13-22-8-4-5-9-22/h6-7,12,16-17H,3-5,8-11,13H2,1-2H3/t16-,17+
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50398590
PNG
(CHEMBL2179583)
Show SMILES CC(C)n1c2ccc(F)cc2n(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c1=O
Show InChI InChI=1S/C23H33FN4O4/c1-16(2)27-19-4-3-18(24)13-20(19)28(22(27)30)21(29)25-14-17-5-9-26(10-6-17)15-23(31)7-11-32-12-8-23/h3-4,13,16-17,31H,5-12,14-15H2,1-2H3,(H,25,29)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in rat striatal membrane after 30 mins by liquid scintillation counting


J Med Chem 55: 9240-54 (2012)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50350990
PNG
(CHEMBL1818334)
Show SMILES CC(C)C[C@@]1(CCN(CC2CC2)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H27NO/c1-14(2)11-18(16-4-3-5-17(20)10-16)8-9-19(13-18)12-15-6-7-15/h3-5,10,14-15,20H,6-9,11-13H2,1-2H3/t18-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor by GTPgamma S binding assay


J Med Chem 54: 5868-77 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50401003
PNG
(CHEMBL2151197)
Show SMILES CCNC(=O)[C@H]1C[C@](F)(C1)c1ccc(CN2CCCC2)c(F)c1
Show InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)/t14-,18-
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated ...


J Med Chem 54: 7602-20 (2011)

More data for this
Ligand-Target Pair
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