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Compile Data Set for Download or QSAR

Found 1159 hits with Last Name = 'diaz' and Initial = 'g'   
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
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84726
PNG
(deslorelin)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.79,5.4,77.90,87.93,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84707
PNG
(nafarelin)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:41.56,65.70,23.34,74.80,88.96,wD:35.40,55.67,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.6,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)|
Show InChI InChI=1S/C66H83N17O13/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50405789
PNG
(CHEMBL412984)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C(N)=O
Show InChI InChI=1S/C69H92Cl2N18O13/c1-37(2)30-51(60(95)83-50(13-8-28-78-69(75)76)67(102)89-29-9-14-57(89)66(101)80-38(3)58(72)93)84-59(94)49(12-7-27-77-68(73)74)82-62(97)53(33-42-19-25-46(92)26-20-42)86-65(100)56(36-90)88-64(99)55(34-43-35-79-48-11-6-5-10-47(43)48)87-63(98)54(32-41-17-23-45(71)24-18-41)85-61(96)52(81-39(4)91)31-40-15-21-44(70)22-16-40/h5-6,10-11,15-26,35,37-38,49-57,79,90,92H,7-9,12-14,27-34,36H2,1-4H3,(H2,72,93)(H,80,101)(H,81,91)(H,82,97)(H,83,95)(H,84,94)(H,85,96)(H,86,100)(H,87,98)(H,88,99)(H4,73,74,77)(H4,75,76,78)/t38-,49-,50-,51+,52-,53+,54-,55-,56+,57-/m1/s1
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0.0182n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL




J Med Chem 32: 2340-4 (1989)


BindingDB Entry DOI: 10.7270/Q2H70H1B
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84712
PNG
(deslorelin 2NMePhe | deslorelin 2Phe)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.79,5.4,77.91,89.95,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.53,2.14,;13.13,.66,;14.22,-.43,;15.71,-.03,;16.11,1.45,;15.02,2.54,;10.35,4.51,;11.12,5.85,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C68H87N15O12/c1-5-71-64(92)56-22-14-30-83(56)67(95)49(21-13-29-72-68(69)70)76-59(87)51(31-39(2)3)77-61(89)53(34-42-36-73-47-19-11-9-17-45(42)47)79-60(88)52(32-41-23-25-44(85)26-24-41)78-63(91)55(38-84)81-62(90)54(35-43-37-74-48-20-12-10-18-46(43)48)80-65(93)57(33-40-15-7-6-8-16-40)82(4)66(94)50-27-28-58(86)75-50/h6-12,15-20,23-26,36-37,39,49-57,73-74,84-85H,5,13-14,21-22,27-35,38H2,1-4H3,(H,71,92)(H,75,86)(H,76,87)(H,77,89)(H,78,91)(H,79,88)(H,80,93)(H,81,90)(H4,69,70,72)/t49-,50-,51-,52-,53+,54-,55-,56-,57-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84708
PNG
(deslorelin 31Nal)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.80,5.4,78.91,88.94,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.27,-3.14,;8.73,-3.13,;7.96,-4.47,;8.73,-5.8,;10.27,-5.8,;11.04,-7.14,;12.58,-7.14,;13.35,-5.8,;12.58,-4.47,;11.04,-4.47,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C66H84N16O12/c1-4-70-64(93)55-19-11-27-82(55)65(94)48(18-10-26-71-66(67)68)75-58(87)49(28-37(2)3)76-60(89)52(31-41-33-72-46-17-8-7-16-45(41)46)79-59(88)50(29-38-20-22-43(84)23-21-38)77-63(92)54(35-83)81-61(90)51(30-40-14-9-13-39-12-5-6-15-44(39)40)78-62(91)53(32-42-34-69-36-73-42)80-57(86)47-24-25-56(85)74-47/h5-9,12-17,20-23,33-34,36-37,47-55,72,83-84H,4,10-11,18-19,24-32,35H2,1-3H3,(H,69,73)(H,70,93)(H,74,85)(H,75,87)(H,76,89)(H,77,92)(H,78,91)(H,79,88)(H,80,86)(H,81,90)(H4,67,68,71)/t47-,48-,49-,50-,51-,52+,53-,54-,55-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230127
PNG
(CHEMBL407606)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 |wU:45.57,31.44,63.79,23.28,5.4,88.94,wD:57.63,77.91,12.20,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;24.32,-11.38,;23.15,-8.98,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;15.16,-8.42,;16.54,-7.74,;17.82,-8.6,;19.2,-7.93,;17.71,-10.14,;16.32,-10.81,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;3.66,-14.95,;4.41,-16.27,;3.65,-17.59,;2.12,-17.59,;1.37,-16.26,;.22,-11.23,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
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0.0245n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84711
PNG
(nafarelin 31Nal)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:41.57,66.71,23.34,75.81,89.97,wD:35.40,56.68,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.59,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.03,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.53,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.1,;-6.59,7.15,;-5.5,8.24,;-5.9,9.73,;-7.38,10.12,;-8.47,9.04,;-9.96,9.43,;-11.05,8.35,;-10.65,6.86,;-9.16,6.46,;-8.07,7.55,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.59,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.34,-2.2,;12.39,-3.01,;13.81,-2.21,;15.16,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.37,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)|
Show InChI InChI=1S/C68H84N16O13/c1-38(2)28-50(60(90)77-49(16-8-26-73-68(70)71)67(97)84-27-9-17-56(84)66(96)74-35-57(69)87)78-62(92)52(31-40-18-21-41-10-3-4-12-43(41)29-40)79-61(91)51(30-39-19-22-46(86)23-20-39)80-65(95)55(36-85)83-63(93)53(32-44-14-7-13-42-11-5-6-15-47(42)44)81-64(94)54(33-45-34-72-37-75-45)82-59(89)48-24-25-58(88)76-48/h3-7,10-15,18-23,29,34,37-38,48-56,85-86H,8-9,16-17,24-28,30-33,35-36H2,1-2H3,(H2,69,87)(H,72,75)(H,74,96)(H,76,88)(H,77,90)(H,78,92)(H,79,91)(H,80,95)(H,81,94)(H,82,89)(H,83,93)(H4,70,71,73)/t48-,49-,50-,51-,52+,53-,54-,55-,56-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84703
PNG
(nafarelin 10SarNH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCCC(N)=O |r,wU:41.56,65.70,23.34,74.80,88.96,wD:35.40,55.67,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.6,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.42,-7.65,;4.57,-8.59,;3.26,-7.74,;4.46,-10.13,)|
Show InChI InChI=1S/C67H85N17O13/c1-37(2)27-49(59(90)77-48(13-7-24-73-67(69)70)66(97)84-26-8-14-55(84)65(96)72-25-23-56(68)87)78-61(92)51(30-39-15-18-40-9-3-4-10-41(40)28-39)79-60(91)50(29-38-16-19-44(86)20-17-38)80-64(95)54(35-85)83-62(93)52(31-42-33-74-46-12-6-5-11-45(42)46)81-63(94)53(32-43-34-71-36-75-43)82-58(89)47-21-22-57(88)76-47/h3-6,9-12,15-20,28,33-34,36-37,47-55,74,85-86H,7-8,13-14,21-27,29-32,35H2,1-2H3,(H2,68,87)(H,71,75)(H,72,96)(H,76,88)(H,77,90)(H,78,92)(H,79,91)(H,80,95)(H,81,94)(H,82,89)(H,83,93)(H4,69,70,73)/t47-,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84717
PNG
(nafarelin 7NMeLeu)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:42.57,66.71,24.35,75.81,89.97,wD:36.41,56.68,9.22,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;8.78,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.6,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)|
Show InChI InChI=1S/C67H85N17O13/c1-37(2)26-55(64(95)77-48(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)83(3)65(96)52(29-39-16-19-40-10-4-5-11-41(40)27-39)81-59(90)49(28-38-17-20-44(86)21-18-38)78-62(93)53(35-85)82-60(91)50(30-42-32-73-46-13-7-6-12-45(42)46)79-61(92)51(31-43-33-71-36-75-43)80-58(89)47-22-23-57(88)76-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,75)(H,74,94)(H,76,88)(H,77,95)(H,78,93)(H,79,92)(H,80,89)(H,81,90)(H,82,91)(H4,69,70,72)/t47-,48-,49-,50-,51-,52+,53-,54-,55-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84728
PNG
(nafarelin 5NMeTyr)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:42.57,66.71,23.34,75.81,89.97,wD:36.41,56.68,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;.5,2.4,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.6,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)|
Show InChI InChI=1S/C67H85N17O13/c1-37(2)26-49(59(90)77-48(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)78-60(91)50(28-39-16-19-40-10-4-5-11-41(40)27-39)81-64(95)55(29-38-17-20-44(86)21-18-38)83(3)65(96)53(35-85)82-61(92)51(30-42-32-73-46-13-7-6-12-45(42)46)79-62(93)52(31-43-33-71-36-75-43)80-58(89)47-22-23-57(88)76-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,75)(H,74,94)(H,76,88)(H,77,90)(H,78,91)(H,79,93)(H,80,89)(H,81,95)(H,82,92)(H4,69,70,72)/t47-,48-,49-,50+,51-,52-,53-,54-,55-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84713
PNG
(nafarelin 4NMeSer)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:42.57,66.71,23.34,75.81,89.97,wD:35.40,56.68,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-3.45,6.18,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.64,1.41,;-7.14,1.48,;-6.6,.06,;-7.77,-.88,;-9.04,-.05,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)|
Show InChI InChI=1S/C67H85N17O13/c1-37(2)26-49(59(90)77-48(14-8-24-72-67(69)70)66(97)84-25-9-15-54(84)63(94)74-34-56(68)87)78-61(92)51(29-39-16-19-40-10-4-5-11-41(40)27-39)79-60(91)50(28-38-17-20-44(86)21-18-38)81-64(95)55(35-85)83(3)65(96)53(30-42-32-73-46-13-7-6-12-45(42)46)82-62(93)52(31-43-33-71-36-75-43)80-58(89)47-22-23-57(88)76-47/h4-7,10-13,16-21,27,32-33,36-37,47-55,73,85-86H,8-9,14-15,22-26,28-31,34-35H2,1-3H3,(H2,68,87)(H,71,75)(H,74,94)(H,76,88)(H,77,90)(H,78,92)(H,79,91)(H,80,89)(H,81,95)(H,82,93)(H4,69,70,72)/t47-,48-,49-,50-,51+,52-,53-,54-,55-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230129
PNG
(CHEMBL407123)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(O)=O |wU:42.57,23.34,8.21,4.4,89.97,66.71,wD:56.68,75.81,35.38,(22.87,-8.85,;21.6,-7.99,;21.71,-6.46,;20.2,-8.67,;20.11,-10.2,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.23,-13.58,;19,-14.91,;18.21,-16.25,;18.95,-17.58,;18.18,-18.9,;16.64,-18.88,;15.89,-17.55,;16.68,-16.23,;15.91,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,;21.39,-11.07,;21.27,-12.61,;22.77,-10.4,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;25.43,-10.59,;25.54,-9.05,;26.7,-11.45,;26.77,-13,;28.24,-13.43,;29.11,-12.14,;28.17,-10.92,;28.58,-9.43,;30.09,-9.08,;27.52,-8.34,;26.03,-7.92,;25.64,-6.44,;24.17,-6.02,;26.73,-5.36,)|
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0.0427n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

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


(Homo sapiens (Human))
BDBM50319536
PNG
((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1 |r|
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
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Article
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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84715
PNG
(deslorelin 7NMeLeu)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:32.45,23.28,12.20,58.64,64.80,5.4,78.91,88.94,wD:46.58,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-1.3,-1.91,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C65H85N17O12/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-62(92)54(26-36(2)3)81(4)63(93)51(29-39-32-72-45-15-9-7-13-43(39)45)79-57(87)48(27-37-18-20-41(84)21-19-37)76-60(90)52(34-83)80-58(88)49(28-38-31-71-44-14-8-6-12-42(38)44)77-59(89)50(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,86)(H,79,87)(H,80,88)(H4,66,67,70)/t46-,47-,48-,49-,50-,51+,52-,53-,54-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84730
PNG
(nafarelin 2Phe)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |r,wU:41.56,66.71,23.34,75.81,89.97,wD:35.40,55.68,8.21,4.4,(4.31,-3.28,;5.62,-2.47,;6.98,-3.2,;5.58,-.92,;7.27,.05,;7.24,1.6,;5.89,2.38,;4.25,1.42,;5.89,3.78,;7.3,4.67,;8.68,4.11,;8.64,2.57,;9.96,1.77,;11.33,2.51,;12.66,1.72,;14.02,2.47,;14.04,4.01,;12.72,4.83,;11.36,4.07,;10.03,4.87,;4.65,4.7,;3.3,3.93,;3.3,2.31,;1.92,4.76,;1.92,6.36,;3.25,7.09,;4.54,6.36,;5.85,7.07,;5.85,8.62,;7.01,9.29,;4.55,9.38,;3.25,8.62,;.5,3.94,;-.84,4.7,;-.87,6.2,;-2.13,3.93,;-2.1,2.42,;-.79,1.7,;-3.45,4.64,;-4.69,3.8,;-4.62,2.07,;-6.14,4.56,;-6.14,6.66,;-7.38,7.5,;-7.54,9.01,;-9,9.32,;-9.76,8.03,;-11.24,7.72,;-11.7,6.27,;-10.72,5.17,;-9.23,5.47,;-8.74,6.92,;-7.5,3.63,;-8.71,4.41,;-8.64,5.92,;-9.94,3.67,;-9.94,2.17,;-8.65,1.65,;-8.65,.11,;-7.32,-.66,;-5.98,.11,;-5.98,1.65,;-7.32,2.42,;-11.26,4.41,;-12.55,3.67,;-12.53,2.1,;-13.85,4.43,;-14.01,5.87,;-15.44,6.27,;-16.37,5.01,;-17.87,4.96,;-15.32,3.81,;8.64,-.67,;9.96,.12,;8.68,-2.21,;10,-2.98,;11.35,-2.2,;12.39,-3.01,;13.81,-2.21,;15.17,-3.2,;16.48,-2.17,;17.87,-2.85,;16.38,-.62,;10,-4.51,;8.68,-5.3,;11.36,-5.3,;12.78,-4.67,;13.81,-5.86,;13.05,-7.16,;11.52,-6.83,;10.37,-7.86,;10.7,-9.38,;8.9,-7.38,;7.75,-8.42,;6.28,-7.95,;5.95,-6.42,;5.11,-8.96,)|
Show InChI InChI=1S/C69H85N15O13/c1-39(2)30-51(61(90)77-50(18-10-28-73-69(71)72)68(97)84-29-11-19-57(84)67(96)75-37-58(70)87)78-64(93)54(34-42-20-23-43-14-6-7-15-44(43)31-42)80-62(91)53(33-41-21-24-46(86)25-22-41)81-66(95)56(38-85)83-65(94)55(35-45-36-74-48-17-9-8-16-47(45)48)82-63(92)52(32-40-12-4-3-5-13-40)79-60(89)49-26-27-59(88)76-49/h3-9,12-17,20-25,31,36,39,49-57,74,85-86H,10-11,18-19,26-30,32-35,37-38H2,1-2H3,(H2,70,87)(H,75,96)(H,76,88)(H,77,90)(H,78,93)(H,79,89)(H,80,91)(H,81,95)(H,82,92)(H,83,94)(H4,71,72,73)/t49-,50-,51-,52-,53-,54+,55-,56-,57-/m0/s1
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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230120
PNG
(CHEMBL405737)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:64.80,45.57,31.44,23.28,5.4,88.94,wD:78.91,12.20,57.61,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.7,-13.56,;18.2,-13.91,;18.35,-15.42,;16.95,-16.04,;16.47,-17.49,;14.98,-17.81,;13.96,-16.65,;14.44,-15.21,;15.93,-14.9,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;13.72,-5.9,;15.1,-5.21,;16.37,-6.08,;17.77,-5.41,;16.27,-7.62,;14.89,-8.3,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;6.88,-7.74,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
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0.0776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84704
PNG
(deslorelin 4NMeSer)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,64.80,5.4,78.91,88.94,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.96,-2.95,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C65H85N17O12/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-57(87)48(26-36(2)3)76-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)77-58(88)49(27-37-18-20-41(84)21-19-37)79-62(92)54(34-83)81(4)63(93)52(29-39-32-72-45-15-9-7-13-43(39)45)80-60(90)51(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,87)(H,76,89)(H,77,88)(H,78,86)(H,79,92)(H,80,90)(H4,66,67,70)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319536
PNG
((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1 |r|
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84721
PNG
(deslorelin 5NMeTyr)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,58.64,64.80,5.4,78.91,88.94,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;3.7,1.09,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.35,1.86,;12.66,.45,;13.72,-.54,;15.09,.1,;14.84,1.64,;10.35,4.51,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C65H85N17O12/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-57(87)48(26-36(2)3)76-58(88)50(29-39-32-72-45-15-9-7-13-43(39)45)79-62(92)54(27-37-18-20-41(84)21-19-37)81(4)63(93)52(34-83)80-59(89)49(28-38-31-71-44-14-8-6-12-42(38)44)77-60(90)51(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,87)(H,76,88)(H,77,90)(H,78,86)(H,79,92)(H,80,89)(H4,66,67,70)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84700
PNG
(leuprolide 31Nal)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:51.55,72.83,82.86,31.36,5.4,wD:57.72,39.49,23.28,12.20,(10.22,12.44,;9.73,11.04,;10.69,9.91,;10.16,8.49,;11.09,7.36,;8.69,8.25,;7.58,9.33,;6.25,8.6,;6.47,7.14,;8.01,6.89,;8.69,5.56,;10.34,5.13,;7.76,4.7,;8.05,3.19,;9.4,2.76,;10.56,3.77,;11.98,3.34,;13.07,4.34,;14.52,3.91,;12.73,5.81,;6.36,5.25,;5.17,4.27,;3.75,4.73,;5.43,2.76,;6.79,2.3,;7.11,.79,;6.64,-.49,;8.54,.28,;4.27,1.76,;2.87,2.26,;2.59,3.77,;1.73,1.23,;1.97,-.25,;3.45,-.72,;3.77,-2.23,;4.1,.15,;.26,1.68,;-.83,.68,;-2.3,1.12,;-.5,-.83,;.97,-1.29,;1.33,-2.76,;.22,-3.83,;.66,-5.34,;2.12,-5.74,;2.48,-7.21,;3.27,-4.67,;2.81,-3.11,;-1.58,-1.87,;-2.98,-1.43,;-3.37,.08,;-4.09,-2.51,;-5.56,-2.12,;-6.7,-3.19,;-3.76,-3.99,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.63,-8.53,;-1.14,-8.92,;-.74,-10.41,;-1.83,-11.5,;-3.32,-11.1,;-4.41,-12.19,;-5.89,-11.79,;-6.29,-10.3,;-5.2,-9.22,;-3.72,-9.61,;-5.56,-7.56,;-7.01,-7.21,;-7.41,-5.74,;-8.1,-8.33,;-9.59,-7.89,;-9.99,-6.42,;-11.44,-5.87,;-11.3,-4.34,;-9.79,-3.94,;-9,-5.27,;-7.71,-9.82,;-8.81,-10.93,;-8.46,-12.44,;-10.37,-10.57,;-10.93,-9.1,;-12.5,-9.1,;-12.97,-10.64,;-14.52,-11.2,;-11.66,-11.59,)|
Show InChI InChI=1S/C61H85N15O12/c1-6-65-59(87)50-17-11-25-76(50)60(88)43(16-10-24-66-61(62)63)69-53(81)44(26-34(2)3)70-54(82)45(27-35(4)5)71-55(83)46(28-36-18-20-40(78)21-19-36)72-58(86)49(32-77)75-56(84)47(29-38-14-9-13-37-12-7-8-15-41(37)38)73-57(85)48(30-39-31-64-33-67-39)74-52(80)42-22-23-51(79)68-42/h7-9,12-15,18-21,31,33-35,42-50,77-78H,6,10-11,16-17,22-30,32H2,1-5H3,(H,64,67)(H,65,87)(H,68,79)(H,69,81)(H,70,82)(H,71,83)(H,72,86)(H,73,85)(H,74,80)(H,75,84)(H4,62,63,66)/t42-,43-,44-,45+,46-,47-,48-,49-,50-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230123
PNG
(CHEMBL385042)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.72,31.36,23.28,5.4,82.86,wD:51.55,72.83,12.20,(29.65,-8.55,;30.04,-10.04,;31.53,-10.45,;32.6,-11.55,;34.09,-11.18,;32.18,-13.04,;33.11,-14.25,;32.25,-15.54,;30.77,-15.11,;30.72,-13.57,;29.44,-12.71,;29.55,-11.16,;28.05,-13.38,;27.95,-14.92,;29.23,-15.78,;29.12,-17.32,;30.4,-18.18,;30.28,-19.72,;31.56,-20.59,;28.9,-20.4,;26.77,-12.51,;25.39,-13.18,;25.28,-14.73,;24.12,-12.32,;24.22,-10.79,;25.61,-10.11,;26.89,-10.97,;25.72,-8.57,;22.72,-12.99,;21.45,-12.14,;21.54,-10.6,;20.06,-12.81,;19.94,-14.34,;20.71,-15.68,;22.24,-15.69,;19.93,-17.01,;18.78,-11.95,;17.39,-12.62,;17.27,-14.16,;16.11,-11.76,;16.22,-10.22,;17.61,-9.55,;17.71,-8,;19.1,-7.33,;20.38,-8.19,;21.77,-7.51,;20.27,-9.73,;18.89,-10.41,;14.73,-12.44,;13.44,-11.57,;13.55,-10.02,;12.06,-12.24,;11.95,-13.78,;13.23,-14.64,;10.78,-11.38,;9.39,-12.06,;9.28,-13.6,;8.11,-11.18,;8.22,-9.65,;9.3,-8.56,;10.79,-8.95,;11.87,-7.86,;11.46,-6.37,;9.97,-5.99,;9.56,-4.51,;8.07,-4.14,;7,-5.24,;7.42,-6.71,;8.9,-7.09,;6.72,-11.86,;5.44,-11,;5.56,-9.46,;4.07,-11.67,;3.95,-13.22,;5.23,-14.08,;5.28,-15.62,;6.76,-16.05,;7.63,-14.78,;6.68,-13.55,;2.77,-10.81,;1.39,-11.48,;1.29,-13.03,;.22,-10.69,;.22,-9.28,;-1.3,-9.05,;-1.99,-10.42,;-3.5,-10.67,;-.9,-11.51,)|
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0.0933n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

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


(Homo sapiens (Human))
BDBM50319552
PNG
((R)-6-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C |r|
Show InChI InChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319549
PNG
((R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccccc1 |r|
Show InChI InChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319509
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cccnc1 |r|
Show InChI InChI=1S/C21H23N3/c1-16-4-3-12-24(16)13-10-17-6-8-20-18(14-17)7-9-21(23-20)19-5-2-11-22-15-19/h2,5-9,11,14-16H,3-4,10,12-13H2,1H3/t16-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50409919
PNG
(CHEMBL12282)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(F)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C47H69ClFN3O13/c1-12-35-47(9)39(51(43(56)65-47)18-17-30-15-16-33(49)32(48)20-30)27(5)36(53)24(2)21-46(8,59-11)40(64-42-37(54)34(19-26(4)61-42)50(10)22-31-13-14-31)28(6)38(29(7)41(55)62-35)63-45(58)52-25(3)23-60-44(52)57/h15-16,20,24-29,31,34-35,37-40,42,54H,12-14,17-19,21-23H2,1-11H3/t24-,25+,26-,27+,28+,29-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319517
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrazi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnccn1 |r|
Show InChI InChI=1S/C20H22N4/c1-15-3-2-11-24(15)12-8-16-4-6-18-17(13-16)5-7-19(23-18)20-14-21-9-10-22-20/h4-7,9-10,13-15H,2-3,8,11-12H2,1H3/t15-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319554
PNG
((R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)nc2ccccn12 |r|
Show InChI InChI=1S/C24H26N4/c1-17-6-5-13-27(17)15-12-19-8-10-21-20(16-19)9-11-22(26-21)24-18(2)25-23-7-3-4-14-28(23)24/h3-4,7-11,14,16-17H,5-6,12-13,15H2,1-2H3/t17-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1 |r|
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230122
PNG
(CHEMBL415571)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.69,23.28,31.36,5.4,80.83,wD:51.55,70.80,12.20,(24.19,-10.58,;24.58,-12.06,;26.07,-12.48,;27.14,-13.57,;28.64,-13.22,;26.72,-15.06,;27.66,-16.28,;26.79,-17.57,;25.32,-17.14,;25.25,-15.59,;23.98,-14.73,;24.09,-13.19,;22.6,-15.41,;22.49,-16.94,;23.77,-17.81,;23.65,-19.35,;24.93,-20.21,;24.81,-21.75,;26.11,-22.61,;23.44,-22.42,;21.32,-14.54,;19.94,-15.21,;19.82,-16.75,;18.66,-14.34,;18.75,-12.81,;20.14,-12.13,;21.42,-12.99,;20.26,-10.6,;17.26,-15.03,;15.99,-14.17,;16.1,-12.62,;14.59,-14.84,;14.49,-16.37,;15.26,-17.71,;16.79,-17.72,;14.48,-19.03,;13.32,-13.97,;11.94,-14.64,;11.82,-16.19,;10.66,-13.78,;10.76,-12.25,;12.15,-11.57,;13.43,-12.43,;14.82,-11.76,;14.92,-10.22,;16.31,-9.55,;13.64,-9.34,;12.26,-10.03,;9.27,-14.45,;7.99,-13.59,;8.09,-12.05,;6.6,-14.27,;6.49,-15.8,;7.78,-16.68,;5.33,-13.41,;3.93,-14.08,;3.82,-15.62,;2.66,-13.22,;2.77,-11.68,;3.84,-10.59,;5.34,-10.97,;6.42,-9.88,;6.02,-8.39,;7.08,-7.32,;6.67,-5.84,;4.51,-8.01,;3.45,-9.11,;1.28,-13.89,;-.02,-13.03,;.1,-11.48,;-1.39,-13.7,;-1.5,-15.24,;-.22,-16.1,;-.18,-17.65,;1.31,-18.08,;2.17,-16.8,;1.22,-15.57,;-2.67,-12.84,;-4.06,-13.52,;-4.17,-15.06,;-5.23,-12.73,;-5.23,-11.3,;-6.75,-11.06,;-7.43,-12.45,;-8.96,-12.7,;-6.34,-13.53,)|
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0.155n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84727
PNG
(leuprolide 7NMeLeu)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1 |r,wU:52.56,72.83,82.86,32.37,5.4,wD:58.72,40.50,23.28,12.20,(10.22,12.44,;9.73,11.04,;10.69,9.91,;10.16,8.49,;11.09,7.36,;8.69,8.25,;7.58,9.33,;6.25,8.6,;6.47,7.14,;8.01,6.89,;8.69,5.56,;10.34,5.13,;7.76,4.7,;8.05,3.19,;9.4,2.76,;10.56,3.77,;11.98,3.34,;13.07,4.34,;14.52,3.91,;12.73,5.81,;6.36,5.25,;5.17,4.27,;3.75,4.73,;5.43,2.76,;6.79,2.3,;7.11,.79,;6.64,-.49,;8.54,.28,;4.27,1.76,;5.36,.67,;2.87,2.26,;2.59,3.77,;1.73,1.23,;1.97,-.25,;3.45,-.72,;3.77,-2.23,;4.1,.15,;.26,1.68,;-.83,.68,;-2.3,1.12,;-.5,-.83,;.97,-1.29,;1.33,-2.76,;.22,-3.83,;.66,-5.34,;2.12,-5.74,;2.48,-7.21,;3.27,-4.67,;2.81,-3.11,;-1.58,-1.87,;-2.98,-1.43,;-3.37,.08,;-4.09,-2.51,;-5.56,-2.12,;-6.7,-3.19,;-3.76,-3.99,;-4.84,-5.02,;-6.31,-4.63,;-4.45,-6.49,;-2.94,-6.89,;-2.51,-8.36,;-1.14,-8.86,;-1.18,-10.4,;-2.61,-10.84,;-3.29,-12.23,;-4.91,-12.31,;-5.73,-10.97,;-5.02,-9.57,;-3.46,-9.5,;-5.56,-7.56,;-7.01,-7.21,;-7.41,-5.74,;-8.1,-8.33,;-9.59,-7.89,;-9.99,-6.42,;-11.44,-5.87,;-11.3,-4.34,;-9.79,-3.94,;-9,-5.27,;-7.71,-9.82,;-8.81,-10.93,;-8.46,-12.44,;-10.37,-10.57,;-10.93,-9.1,;-12.5,-9.1,;-12.97,-10.64,;-14.52,-11.2,;-11.66,-11.59,)|
Show InChI InChI=1S/C60H86N16O12/c1-7-64-56(85)48-15-11-23-76(48)59(88)42(14-10-22-65-60(61)62)69-57(86)49(25-34(4)5)75(6)58(87)46(24-33(2)3)73-52(81)43(26-35-16-18-38(78)19-17-35)70-55(84)47(31-77)74-53(82)44(27-36-29-66-40-13-9-8-12-39(36)40)71-54(83)45(28-37-30-63-32-67-37)72-51(80)41-20-21-50(79)68-41/h8-9,12-13,16-19,29-30,32-34,41-49,66,77-78H,7,10-11,14-15,20-28,31H2,1-6H3,(H,63,67)(H,64,85)(H,68,79)(H,69,86)(H,70,84)(H,71,83)(H,72,80)(H,73,81)(H,74,82)(H4,61,62,65)/t41-,42-,43-,44-,45-,46+,47-,48-,49-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319528
PNG
((R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(C)c1C |r|
Show InChI InChI=1S/C21H26N4/c1-15-5-4-11-25(15)12-10-17-6-8-20-18(13-17)7-9-21(23-20)19-14-22-24(3)16(19)2/h6-9,13-15H,4-5,10-12H2,1-3H3/t15-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319547
PNG
((R)-3-(4-chlorophenyl)-5-methyl-4-(6-(2-(2-methylp...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClN3O/c1-17-4-3-14-30(17)15-13-19-5-11-23-21(16-19)8-12-24(28-23)25-18(2)31-29-26(25)20-6-9-22(27)10-7-20/h5-12,16-17H,3-4,13-15H2,1-2H3/t17-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230126
PNG
(CHEMBL385468)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1 |wU:39.49,57.71,31.36,23.28,5.4,81.85,wD:51.55,71.82,12.20,(25.64,-6.44,;26.03,-7.92,;27.52,-8.34,;28.58,-9.43,;30.09,-9.08,;28.17,-10.92,;29.11,-12.14,;28.24,-13.43,;26.77,-13,;26.7,-11.45,;25.43,-10.59,;25.54,-9.05,;24.05,-11.27,;23.94,-12.8,;25.22,-13.67,;25.1,-15.21,;26.38,-16.06,;26.26,-17.6,;27.56,-18.46,;24.89,-18.28,;22.77,-10.4,;21.39,-11.07,;21.27,-12.61,;20.11,-10.2,;20.2,-8.67,;21.6,-7.99,;22.87,-8.85,;21.71,-6.46,;18.72,-10.89,;17.44,-10.03,;17.55,-8.48,;16.05,-10.7,;15.95,-12.23,;16.71,-13.56,;18.25,-13.58,;15.93,-14.89,;14.77,-9.83,;13.39,-10.5,;13.28,-12.05,;12.12,-9.64,;12.22,-8.11,;13.61,-7.44,;14.89,-8.3,;16.27,-7.62,;16.37,-6.08,;17.77,-5.41,;15.1,-5.21,;13.72,-5.9,;10.73,-10.31,;9.45,-9.46,;9.55,-7.9,;8.06,-10.13,;7.95,-11.66,;9.24,-12.54,;6.79,-9.27,;5.39,-9.94,;5.28,-11.48,;4.12,-9.08,;4.23,-7.54,;5.62,-6.87,;7.15,-6.65,;7.41,-5.14,;6.06,-4.41,;5.7,-2.91,;4.21,-2.48,;3.1,-3.55,;3.47,-5.05,;4.94,-5.48,;2.74,-9.75,;1.45,-8.89,;1.56,-7.34,;.08,-9.56,;-.04,-11.1,;1.24,-11.96,;1.28,-13.51,;2.77,-13.94,;3.63,-12.66,;2.68,-11.43,;-1.21,-8.71,;-2.59,-9.38,;-2.71,-10.92,;-3.76,-8.59,;-3.76,-7.16,;-5.29,-6.93,;-5.97,-8.31,;-7.49,-8.57,;-4.87,-9.39,)|
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0.186n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

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


(Homo sapiens (Human))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C |r|
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1 |r|
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319566
PNG
((R)-N,N-dimethyl-6-(5-methyl-4-(6-(2-(2-methylpyrr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(nn1)N(C)C |r|
Show InChI InChI=1S/C26H31N7/c1-18-6-5-14-32(18)15-13-20-7-9-23-21(16-20)8-10-24(28-23)22-17-27-33(19(22)2)26-12-11-25(29-30-26)31(3)4/h7-12,16-18H,5-6,13-15H2,1-4H3/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224191
PNG
((R)-2-(1-(6-ethoxypyridazin-3-yl)-5-methyl-1H-pyra...)
Show SMILES CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50230124
PNG
(CHEMBL429240)
Show SMILES CCNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |wU:89.95,63.79,45.57,31.44,23.28,5.4,wD:57.63,12.20,77.83,(27.09,-8.95,;27.47,-10.44,;28.96,-10.86,;30.04,-11.96,;31.53,-11.6,;29.61,-13.45,;30.56,-14.67,;29.69,-15.95,;28.21,-15.53,;28.16,-13.97,;26.88,-13.11,;26.98,-11.58,;25.49,-13.78,;25.38,-15.33,;26.66,-16.2,;26.55,-17.73,;27.83,-18.59,;27.72,-20.13,;29,-21,;26.33,-20.8,;24.22,-12.92,;22.82,-13.6,;22.72,-15.13,;21.54,-12.73,;21.65,-11.2,;23.05,-10.52,;23.15,-8.98,;24.32,-11.38,;20.15,-13.41,;18.89,-12.55,;18.99,-11.01,;17.49,-13.23,;17.39,-14.76,;18.14,-16.08,;19.64,-16.43,;19.78,-17.94,;18.38,-18.56,;17.91,-20.01,;16.43,-20.33,;15.39,-19.17,;15.88,-17.73,;17.36,-17.42,;16.22,-12.36,;14.83,-13.03,;14.71,-14.57,;13.55,-12.17,;13.66,-10.62,;15.04,-9.95,;16.32,-10.81,;17.71,-10.14,;17.82,-8.6,;19.2,-7.93,;16.54,-7.74,;15.16,-8.42,;12.16,-12.85,;10.88,-11.97,;10.99,-10.44,;9.49,-12.65,;9.39,-14.19,;10.67,-15.06,;8.21,-11.79,;6.83,-12.46,;6.71,-14.01,;5.54,-11.6,;5.65,-10.07,;7.05,-9.39,;8.58,-9.18,;8.85,-7.67,;7.49,-6.93,;7.12,-5.44,;5.63,-5,;4.53,-6.07,;4.89,-7.56,;6.37,-8,;4.17,-12.27,;2.88,-11.41,;3,-9.87,;1.49,-12.09,;1.38,-13.62,;2.15,-14.95,;1.37,-16.26,;2.12,-17.59,;3.65,-17.59,;4.41,-16.27,;3.66,-14.95,;.22,-11.23,;.31,-9.7,;-1.18,-11.9,;-1.28,-13.44,;-2.34,-11.11,;-2.34,-9.69,;-3.87,-9.46,;-4.55,-10.83,;-6.06,-11.09,;-3.45,-11.92,)|
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0.209n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 35: 3890-4 (1992)

More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84712
PNG
(deslorelin 2NMePhe | deslorelin 2Phe)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H]1CCC(=O)N1 |r,wU:31.44,23.28,12.20,57.63,63.79,5.4,77.91,89.95,wD:45.57,(-8.25,5.5,;-8.21,4.01,;-6.91,3.28,;-6.91,1.76,;-5.56,.97,;-8.21,.86,;-9.55,1.3,;-10.59,.25,;-9.77,-1.09,;-8.21,-.6,;-6.97,-1.49,;-5.62,-.85,;-7.01,-3.06,;-8.43,-3.76,;-9.77,-2.88,;-11.13,-3.55,;-12.37,-2.75,;-13.77,-3.43,;-15.09,-2.58,;-13.89,-4.95,;-5.75,-3.91,;-4.4,-3.25,;-4.38,-1.66,;-3.12,-4.06,;-3.52,-5.56,;-2.46,-6.71,;-2.79,-8.25,;-.84,-7.09,;-1.7,-3.39,;-.45,-4.25,;-.33,-5.83,;.61,-3.28,;.76,-1.8,;-.23,-.66,;.18,.7,;-.73,1.73,;-2.18,1.46,;-3.12,2.52,;-4.51,2.21,;-4.98,.86,;-4.03,-.18,;-2.61,.1,;2.04,-3.86,;3.22,-2.91,;4.71,-3.45,;2.98,-1.4,;1.57,-.7,;1.7,.88,;.39,1.92,;.68,3.61,;2.13,4.32,;2.37,5.95,;3.43,3.26,;3.26,1.51,;4.09,-.39,;5.66,-.45,;6.38,.82,;6.32,-1.82,;5.59,-3.1,;6.26,-4.46,;7.87,-1.86,;8.66,-.54,;7.93,.8,;10.17,-.6,;10.89,-1.99,;10.45,-3.49,;9,-4.01,;9.07,-5.58,;10.52,-6,;11.2,-7.39,;12.75,-7.49,;13.62,-6.2,;12.93,-4.81,;11.38,-4.71,;10.95,.6,;10.29,1.94,;8.75,1.98,;11.11,3.26,;12.59,3.16,;13.53,2.14,;13.13,.66,;14.22,-.43,;15.71,-.03,;16.11,1.45,;15.02,2.54,;10.35,4.51,;11.12,5.85,;8.83,4.51,;8.02,3.22,;8.02,5.91,;8.59,7.19,;7.54,8.25,;6.16,7.59,;4.77,8.19,;6.53,5.95,)|
Show InChI InChI=1S/C68H87N15O12/c1-5-71-64(92)56-22-14-30-83(56)67(95)49(21-13-29-72-68(69)70)76-59(87)51(31-39(2)3)77-61(89)53(34-42-36-73-47-19-11-9-17-45(42)47)79-60(88)52(32-41-23-25-44(85)26-24-41)78-63(91)55(38-84)81-62(90)54(35-43-37-74-48-20-12-10-18-46(43)48)80-65(93)57(33-40-15-7-6-8-16-40)82(4)66(94)50-27-28-58(86)75-50/h6-12,15-20,23-26,36-37,39,49-57,73-74,84-85H,5,13-14,21-22,27-35,38H2,1-4H3,(H,71,92)(H,75,86)(H,76,87)(H,77,89)(H,78,91)(H,79,88)(H,80,93)(H,81,90)(H4,69,70,72)/t49-,50-,51-,52-,53+,54-,55-,56-,57-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319510
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H23N3/c1-16-3-2-13-24(16)14-10-17-4-6-21-19(15-17)5-7-20(23-21)18-8-11-22-12-9-18/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3/t16-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319534
PNG
((R)-2-(2-methoxypyrimidin-5-yl)-6-(2-(2-methylpyrr...)
Show SMILES COc1ncc(cn1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 |r|
Show InChI InChI=1S/C21H24N4O/c1-15-4-3-10-25(15)11-9-16-5-7-19-17(12-16)6-8-20(24-19)18-13-22-21(26-2)23-14-18/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50409920
PNG
(CHEMBL273440)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C46H69Cl2N3O13/c1-14-34-46(11)38(50(42(55)64-46)18-17-30-15-16-31(47)32(48)20-30)27(7)35(52)24(4)21-45(10,58-13)39(63-41-36(53)33(19-26(6)60-41)49(12)23(2)3)28(8)37(29(9)40(54)61-34)62-44(57)51-25(5)22-59-43(51)56/h15-16,20,23-29,33-34,36-39,41,53H,14,17-19,21-22H2,1-13H3/t24-,25+,26-,27+,28+,29-,33+,34-,36-,37+,38-,39-,41?,45+,46-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat luteinizing hormone-releasing hormone (LHRH) receptor cloned in CHO cells


J Med Chem 47: 1085-97 (2004)

Checked by Author
Article DOI: 10.1021/jm030418i
BindingDB Entry DOI: 10.7270/Q2ZG6TF5
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224192
PNG
((R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2cc(C)nn2c1C
Show InChI InChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319552
PNG
((R)-6-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C |r|
Show InChI InChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319514
PNG
((R)-2,6-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C#N)c(C)nc1C |r|
Show InChI InChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3/t16-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Luteinizing hormone/Choriogonadotropin receptor


(Rattus norvegicus)
BDBM50405770
PNG
(CHEMBL216617)
Show SMILES CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CCc1cccc2ccccc12
Show InChI InChI=1S/C57H72N10O9/c1-4-60-55(75)49-19-11-29-67(49)56(76)44(18-10-28-61-57(58)59)63-51(71)45(30-35(2)3)64-53(73)47(33-37-20-23-38-12-5-6-14-41(38)31-37)65-52(72)46(32-36-21-25-42(69)26-22-36)66-54(74)48(34-68)62-50(70)27-24-40-16-9-15-39-13-7-8-17-43(39)40/h5-9,12-17,20-23,25-26,31,35,44-49,68-69H,4,10-11,18-19,24,27-30,32-34H2,1-3H3,(H,60,75)(H,62,70)(H,63,71)(H,64,73)(H,65,72)(H,66,74)(H4,58,59,61)/t44-,45-,46-,47+,48-,49?/m0/s1
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0.282n/an/an/an/an/an/an/an/a



Abbott Laboratory

Curated by ChEMBL




J Med Chem 32: 2340-4 (1989)


BindingDB Entry DOI: 10.7270/Q2H70H1B
More data for this
Ligand-Target Pair
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