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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'yamada' and Initial = 'y'   
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
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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0.430n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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1.33n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM35667
PNG
(AVP | CHEMBL373742 | US10131692, 44 (AVP) | [3H]Ar...)
Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
Show InChI InChI=1S/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
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1.45n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139906
PNG
(CHEMBL414991 | DPhe-His-Leu-Leu-Arg-Glu-Val-Leu-Gl...)
Show InChI InChI=1S/C164H275N49O41/c1-24-28-43-100(122(215)80-183-101(57-62-128(222)223)139(232)213-132(90(18)27-4)161(254)212-131(133(170)226)89(17)26-3)190-153(246)115(70-84(7)8)206-146(239)103(45-33-35-64-165)195-144(237)107(49-39-67-181-163(173)174)199-159(252)121(77-125(169)218)209-147(240)104-46-34-36-65-179-126(219)61-56-112(142(235)188-95(23)137(230)203-119(157(250)196-104)75-97-78-177-81-184-97)202-148(241)110(54-59-123(167)216)192-136(229)94(22)189-152(245)114(69-83(5)6)205-150(243)111(55-60-124(168)217)201-149(242)113(58-63-129(224)225)193-135(228)93(21)187-141(234)106(48-38-66-180-162(171)172)191-134(227)92(20)186-140(233)102(44-29-25-2)194-143(236)105(47-37-51-127(220)221)197-155(248)118(73-87(13)14)210-160(253)130(88(15)16)211-151(244)109(53-52-91(19)214)200-145(238)108(50-40-68-182-164(175)176)198-154(247)116(71-85(9)10)207-156(249)117(72-86(11)12)208-158(251)120(76-98-79-178-82-185-98)204-138(231)99(166)74-96-41-31-30-32-42-96/h30-32,41-42,78-79,81-90,92-95,99-121,130-132,183H,24-29,33-40,43-77,80,165-166H2,1-23H3,(H2,167,216)(H2,168,217)(H2,169,218)(H2,170,226)(H,177,184)(H,178,185)(H,179,219)(H,186,233)(H,187,234)(H,188,235)(H,189,245)(H,190,246)(H,191,227)(H,192,229)(H,193,228)(H,194,236)(H,195,237)(H,196,250)(H,197,248)(H,198,247)(H,199,252)(H,200,238)(H,201,242)(H,202,241)(H,203,230)(H,204,231)(H,205,243)(H,206,239)(H,207,249)(H,208,251)(H,209,240)(H,210,253)(H,211,244)(H,212,254)(H,213,232)(H,220,221)(H,222,223)(H,224,225)(H4,171,172,180)(H4,173,174,181)(H4,175,176,182)/t89-,90-,92-,93-,94-,95-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114?,115-,116?,117?,118-,119-,120-,121-,130-,131-,132-/m0/s1
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2n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139920
PNG
(Ac-(Glu-Aib-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H112N18O21/c1-9-37(5)56(58(72)98)87-69(109)57(38(6)10-2)88-68(108)51(35-55(96)97)86-66(106)49(33-41-19-12-11-13-20-41)84-64(104)47(31-36(3)4)82-60(100)42(21-14-16-28-71)78-59(99)44(23-18-30-76-70(73)74)80-65(105)48(32-39(7)89)83-61(101)43-22-15-17-29-75-52(91)26-24-45(77-40(8)90)62(102)85-50(34-54(94)95)67(107)81-46(63(103)79-43)25-27-53(92)93/h11-13,19-20,36-38,42-51,56-57H,9-10,14-18,21-35,71H2,1-8H3,(H2,72,98)(H,75,91)(H,77,90)(H,78,99)(H,79,103)(H,80,105)(H,81,107)(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,106)(H,87,109)(H,88,108)(H,92,93)(H,94,95)(H,96,97)(H4,73,74,76)/t37-,38-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1
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3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139907
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38+,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139905
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38-,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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6.36n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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9.42n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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12.3n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139915
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C68H118N18O19/c1-11-37(7)55(57(71)95)85-67(105)56(38(8)12-2)86-66(104)49(34-54(93)94)83-59(97)41(36(5)6)20-13-14-24-50(88)47(32-35(3)4)82-62(100)42(21-15-17-29-69)79-61(99)44(23-19-31-75-68(72)73)81-65(103)48(33-51(70)89)84-63(101)43-22-16-18-30-74-52(90)27-25-45(77-40(10)87)60(98)76-39(9)58(96)78-46(64(102)80-43)26-28-53(91)92/h35-39,41-49,55-56H,11-34,69H2,1-10H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,98)(H,77,87)(H,78,96)(H,79,99)(H,80,102)(H,81,103)(H,82,100)(H,83,97)(H,84,101)(H,85,105)(H,86,104)(H,91,92)(H,93,94)(H4,72,73,75)/t37-,38-,39-,41?,42-,43-,44-,45+,46-,47-,48-,49-,55-,56-/m0/s1
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36.7n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139909
PNG
(Ac-(Glu-Ala-Lys-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H127N19O17/c1-12-41(7)58(60(75)97)88-70(107)59(42(8)13-2)89-67(104)50(29-32-57(95)96)82-62(99)45(40(5)6)23-14-15-28-54(92)51(37-39(3)4)86-65(102)47(25-17-20-34-73)83-64(101)49(27-22-36-79-71(76)77)85-68(105)52(38-55(74)93)87-66(103)48-26-18-21-35-78-56(94)31-30-53(90(11)44(10)91)69(106)80-43(9)61(98)81-46(63(100)84-48)24-16-19-33-72/h39-43,45-53,58-59H,12-38,72-73H2,1-11H3,(H2,74,93)(H2,75,97)(H,78,94)(H,80,106)(H,81,98)(H,82,99)(H,83,101)(H,84,100)(H,85,105)(H,86,102)(H,87,103)(H,88,107)(H,89,104)(H,95,96)(H4,76,77,79)/t41-,42-,43-,45?,46-,47-,48-,49-,50-,51-,52-,53+,58-,59-/m0/s1
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44.8n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139901
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Lys-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H120N18O17/c1-11-40(7)58(60(74)95)87-70(105)59(41(8)12-2)88-67(102)50(27-29-57(93)94)80-62(97)45(39(5)6)21-13-14-25-54(90)51(33-38(3)4)84-65(100)47(23-16-19-31-72)81-64(99)46(22-15-18-30-71)83-69(104)53(35-55(73)91)86-66(101)48-24-17-20-32-76-56(92)28-26-49(79-43(10)89)63(98)78-42(9)61(96)85-52(68(103)82-48)34-44-36-75-37-77-44/h36-42,45-53,58-59H,11-35,71-72H2,1-10H3,(H2,73,91)(H2,74,95)(H,75,77)(H,76,92)(H,78,98)(H,79,89)(H,80,97)(H,81,99)(H,82,103)(H,83,104)(H,84,100)(H,85,96)(H,86,101)(H,87,105)(H,88,102)(H,93,94)/t40-,41-,42-,45?,46+,47-,48-,49+,50-,51-,52-,53-,58-,59-/m0/s1
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45.1n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139904
PNG
(Ac-(Glu-Ala-Leu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H126N18O17/c1-14-41(9)58(60(74)96)87-70(106)59(42(10)15-2)88-66(102)49(28-31-57(94)95)80-62(98)45(40(7)8)23-16-17-27-54(91)50(35-38(3)4)84-64(100)46(24-18-20-32-72)81-63(99)48(26-22-34-78-71(75)76)83-68(104)52(37-55(73)92)86-65(101)47-25-19-21-33-77-56(93)30-29-53(89(13)44(12)90)69(105)79-43(11)61(97)85-51(36-39(5)6)67(103)82-47/h38-43,45-53,58-59H,14-37,72H2,1-13H3,(H2,73,92)(H2,74,96)(H,77,93)(H,79,105)(H,80,98)(H,81,99)(H,82,103)(H,83,104)(H,84,100)(H,85,97)(H,86,101)(H,87,106)(H,88,102)(H,94,95)(H4,75,76,78)/t41-,42-,43-,45?,46-,47-,48-,49-,50-,51-,52-,53+,58-,59-/m0/s1
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48.9n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139908
PNG
(Ac-(Glu-Ala-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H120N20O17/c1-11-39(7)57(59(73)97)89-69(107)58(40(8)12-2)90-66(104)49(26-28-56(95)96)82-61(99)44(38(5)6)20-13-14-24-53(92)50(32-37(3)4)86-64(102)45(21-15-17-29-71)83-63(101)47(23-19-31-78-70(74)75)85-68(106)52(34-54(72)93)88-65(103)46-22-16-18-30-77-55(94)27-25-48(81-42(10)91)62(100)80-41(9)60(98)87-51(67(105)84-46)33-43-35-76-36-79-43/h35-41,44-52,57-58H,11-34,71H2,1-10H3,(H2,72,93)(H2,73,97)(H,76,79)(H,77,94)(H,80,100)(H,81,91)(H,82,99)(H,83,101)(H,84,105)(H,85,106)(H,86,102)(H,87,98)(H,88,103)(H,89,107)(H,90,104)(H,95,96)(H4,74,75,78)/t39-,40-,41+,44?,45-,46-,47-,48+,49-,50-,51-,52-,57-,58-/m0/s1
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50n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139910
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Ala-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C67H113N17O17/c1-12-37(7)55(57(70)91)83-67(101)56(38(8)13-2)84-64(98)47(25-27-54(89)90)78-60(94)43(36(5)6)20-14-15-23-51(86)48(30-35(3)4)80-62(96)44(21-16-18-28-68)77-58(92)39(9)75-65(99)50(32-52(69)87)82-63(97)45-22-17-19-29-72-53(88)26-24-46(76-41(11)85)61(95)74-40(10)59(93)81-49(66(100)79-45)31-42-33-71-34-73-42/h33-40,43-50,55-56H,12-32,68H2,1-11H3,(H2,69,87)(H2,70,91)(H,71,73)(H,72,88)(H,74,95)(H,75,99)(H,76,85)(H,77,92)(H,78,94)(H,79,100)(H,80,96)(H,81,93)(H,82,97)(H,83,101)(H,84,98)(H,89,90)/t37-,38-,39+,40-,43?,44-,45-,46+,47-,48-,49-,50-,55-,56-/m0/s1
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70.9n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139913
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C69H112N18O19/c1-10-37(5)55(57(71)95)86-68(106)56(38(6)11-2)87-67(105)51(35-54(93)94)85-66(104)50(34-42-20-13-12-14-21-42)84-64(102)48(32-36(3)4)82-61(99)43(22-15-17-29-70)79-60(98)45(24-19-31-75-69(72)73)81-65(103)49(33-39(7)88)83-62(100)44-23-16-18-30-74-52(90)27-25-46(77-41(9)89)59(97)76-40(8)58(96)78-47(63(101)80-44)26-28-53(91)92/h12-14,20-21,36-38,40,43-51,55-56H,10-11,15-19,22-35,70H2,1-9H3,(H2,71,95)(H,74,90)(H,76,97)(H,77,89)(H,78,96)(H,79,98)(H,80,101)(H,81,103)(H,82,99)(H,83,100)(H,84,102)(H,85,104)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t37-,38-,40-,43-,44-,45-,46+,47-,48-,49-,50-,51-,55-,56-/m0/s1
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81n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139914
PNG
(Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H122N18O19/c1-12-39(7)57(59(73)97)86-69(107)58(40(8)13-2)87-66(104)48(27-31-56(95)96)80-61(99)43(38(5)6)21-14-15-25-52(90)49(35-37(3)4)84-63(101)44(22-16-18-32-71)81-62(100)46(24-20-34-77-70(74)75)83-67(105)50(36-53(72)91)85-64(102)45-23-17-19-33-76-54(92)29-28-51(88(11)42(10)89)68(106)78-41(9)60(98)79-47(65(103)82-45)26-30-55(93)94/h37-41,43-51,57-58H,12-36,71H2,1-11H3,(H2,72,91)(H2,73,97)(H,76,92)(H,78,106)(H,79,98)(H,80,99)(H,81,100)(H,82,103)(H,83,105)(H,84,101)(H,85,102)(H,86,107)(H,87,104)(H,93,94)(H,95,96)(H4,74,75,77)/t39-,40-,41-,43?,44-,45-,46-,47-,48-,49-,50-,51+,57-,58-/m0/s1
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130n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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150n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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325n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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524n/an/an/an/an/an/an/an/a



Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139912
PNG
(Ac-(Glu-Ala-Phe-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C74H124N18O17/c1-12-43(7)61(63(77)99)90-73(109)62(44(8)13-2)91-69(105)52(31-34-60(97)98)83-65(101)48(42(5)6)26-17-18-30-57(94)53(38-41(3)4)87-67(103)49(27-19-21-35-75)84-66(102)51(29-23-37-81-74(78)79)86-71(107)55(40-58(76)95)89-68(104)50-28-20-22-36-80-59(96)33-32-56(92(11)46(10)93)72(108)82-45(9)64(100)88-54(70(106)85-50)39-47-24-15-14-16-25-47/h14-16,24-25,41-45,48-56,61-62H,12-13,17-23,26-40,75H2,1-11H3,(H2,76,95)(H2,77,99)(H,80,96)(H,82,108)(H,83,101)(H,84,102)(H,85,106)(H,86,107)(H,87,103)(H,88,100)(H,89,104)(H,90,109)(H,91,105)(H,97,98)(H4,78,79,81)/t43-,44-,45-,48?,49-,50-,51-,52-,53-,54-,55-,56+,61-,62-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139911
PNG
(Ac-(Glu-Dap-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)NCC(N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H121N21O17/c1-10-39(7)57(59(74)98)90-69(108)58(40(8)11-2)91-66(105)49(25-27-56(96)97)83-60(99)43(38(5)6)19-12-13-23-53(93)50(31-37(3)4)87-64(103)45(20-14-16-28-71)84-63(102)47(22-18-30-79-70(75)76)86-68(107)52(33-54(73)94)89-65(104)46-21-15-17-29-78-55(95)26-24-48(82-41(9)92)62(101)80-35-44(72)61(100)88-51(67(106)85-46)32-42-34-77-36-81-42/h34,36-40,43-52,57-58H,10-33,35,71-72H2,1-9H3,(H2,73,94)(H2,74,98)(H,77,81)(H,78,95)(H,80,101)(H,82,92)(H,83,99)(H,84,102)(H,85,106)(H,86,107)(H,87,103)(H,88,100)(H,89,104)(H,90,108)(H,91,105)(H,96,97)(H4,75,76,79)/t39-,40-,43?,44?,45-,46+,47-,48+,49-,50-,51+,52-,57-,58-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139902
PNG
(Ac-(Glu-Ala-His-Lys)-Asp-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H119N19O18/c1-11-39(7)57(59(72)97)88-69(107)58(40(8)12-2)89-66(104)49(26-28-55(93)94)81-61(99)44(38(5)6)20-13-14-24-53(91)50(32-37(3)4)85-64(102)45(21-15-17-29-71)82-63(101)47(23-19-31-77-70(73)74)84-68(106)52(34-56(95)96)87-65(103)46-22-16-18-30-76-54(92)27-25-48(80-42(10)90)62(100)79-41(9)60(98)86-51(67(105)83-46)33-43-35-75-36-78-43/h35-41,44-52,57-58H,11-34,71H2,1-10H3,(H2,72,97)(H,75,78)(H,76,92)(H,79,100)(H,80,90)(H,81,99)(H,82,101)(H,83,105)(H,84,106)(H,85,102)(H,86,98)(H,87,103)(H,88,107)(H,89,104)(H,93,94)(H,95,96)(H4,73,74,77)/t39-,40-,41-,44?,45-,46-,47-,48+,49-,50-,51-,52-,57-,58-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139900
PNG
(Ac-(Glu-Asp-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H120N20O19/c1-10-39(7)58(60(74)100)90-70(110)59(40(8)11-2)91-66(106)48(25-27-56(96)97)82-61(101)43(38(5)6)19-12-13-23-53(93)49(31-37(3)4)86-63(103)44(20-14-16-28-72)83-62(102)46(22-18-30-79-71(75)76)85-68(108)51(33-54(73)94)88-64(104)45-21-15-17-29-78-55(95)26-24-47(81-41(9)92)65(105)89-52(34-57(98)99)69(109)87-50(67(107)84-45)32-42-35-77-36-80-42/h35-40,43-52,58-59H,10-34,72H2,1-9H3,(H2,73,94)(H2,74,100)(H,77,80)(H,78,95)(H,81,92)(H,82,101)(H,83,102)(H,84,107)(H,85,108)(H,86,103)(H,87,109)(H,88,104)(H,89,105)(H,90,110)(H,91,106)(H,96,97)(H,98,99)(H4,75,76,79)/t39-,40-,43?,44-,45-,46-,47+,48-,49-,50-,51-,52+,58-,59-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139903
PNG
(Ac-(Glu-Ala-His-Lys)-Dab-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCNC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C70H122N20O16/c1-11-40(7)57(59(73)96)89-69(106)58(41(8)12-2)90-67(104)51(26-28-56(94)95)83-61(98)45(39(5)6)20-13-14-24-54(92)52(34-38(3)4)87-66(103)48(21-15-17-30-71)86-65(102)49(23-19-32-79-70(74)75)84-62(99)46(72)29-33-78-63(100)47-22-16-18-31-77-55(93)27-25-50(82-43(10)91)64(101)81-42(9)60(97)88-53(68(105)85-47)35-44-36-76-37-80-44/h36-42,45-53,57-58H,11-35,71-72H2,1-10H3,(H2,73,96)(H,76,80)(H,77,93)(H,78,100)(H,81,101)(H,82,91)(H,83,98)(H,84,99)(H,85,105)(H,86,102)(H,87,103)(H,88,97)(H,89,106)(H,90,104)(H,94,95)(H4,74,75,79)/t40-,41-,42-,45?,46+,47-,48-,49-,50+,51-,52-,53-,57-,58-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139919
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C72H125N19O16/c1-13-42(9)59(61(74)97)90-71(107)60(43(10)14-2)91-68(104)52(28-30-58(95)96)83-63(99)47(41(7)8)22-15-16-26-56(93)53(34-39(3)4)87-66(102)48(23-17-19-31-73)84-65(101)50(25-21-33-79-72(75)76)86-69(105)54(35-40(5)6)89-67(103)49-24-18-20-32-78-57(94)29-27-51(82-45(12)92)64(100)81-44(11)62(98)88-55(70(106)85-49)36-46-37-77-38-80-46/h37-44,47-55,59-60H,13-36,73H2,1-12H3,(H2,74,97)(H,77,80)(H,78,94)(H,81,100)(H,82,92)(H,83,99)(H,84,101)(H,85,106)(H,86,105)(H,87,102)(H,88,98)(H,89,103)(H,90,107)(H,91,104)(H,95,96)(H4,75,76,79)/t42-,43-,44-,47?,48-,49-,50-,51+,52-,53-,54-,55-,59-,60-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139916
PNG
(Ac-(Glu-Ala-His-Lys)-Gln-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C71H122N20O17/c1-11-40(7)58(60(74)98)90-70(108)59(41(8)12-2)91-68(106)51(27-30-57(96)97)83-62(100)45(39(5)6)20-13-14-24-54(93)52(34-38(3)4)88-66(104)46(21-15-17-31-72)84-65(103)48(23-19-33-79-71(75)76)85-67(105)50(25-28-55(73)94)87-64(102)47-22-16-18-32-78-56(95)29-26-49(82-43(10)92)63(101)81-42(9)61(99)89-53(69(107)86-47)35-44-36-77-37-80-44/h36-42,45-53,58-59H,11-35,72H2,1-10H3,(H2,73,94)(H2,74,98)(H,77,80)(H,78,95)(H,81,101)(H,82,92)(H,83,100)(H,84,103)(H,85,105)(H,86,107)(H,87,102)(H,88,104)(H,89,99)(H,90,108)(H,91,106)(H,96,97)(H4,75,76,79)/t40-,41-,42-,45?,46-,47-,48-,49+,50-,51-,52-,53-,58-,59-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139918
PNG
(Ac-(Glu-Ala-His-Lys)-Leu-Gly-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C66H111N17O17/c1-11-37(7)55(57(69)91)82-66(100)56(38(8)12-2)83-64(98)46(24-26-54(89)90)77-59(93)42(36(5)6)19-13-14-22-50(85)47(29-35(3)4)79-62(96)43(20-15-17-27-67)76-53(88)33-72-60(94)49(31-51(68)86)81-63(97)44-21-16-18-28-71-52(87)25-23-45(75-40(10)84)61(95)74-39(9)58(92)80-48(65(99)78-44)30-41-32-70-34-73-41/h32,34-39,42-49,55-56H,11-31,33,67H2,1-10H3,(H2,68,86)(H2,69,91)(H,70,73)(H,71,87)(H,72,94)(H,74,95)(H,75,84)(H,76,88)(H,77,93)(H,78,99)(H,79,96)(H,80,92)(H,81,97)(H,82,100)(H,83,98)(H,89,90)/t37-,38-,39-,42?,43-,44-,45+,46-,47-,48-,49-,55-,56-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50139917
PNG
(Ac-(Glu-Ala-Asp-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)C(CCCCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](N(C)C(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(C)C)[C@@H](C)CC)C(N)=O
Show InChI InChI=1S/C69H120N18O19/c1-12-38(7)56(58(72)96)85-68(106)57(39(8)13-2)86-64(102)46(26-29-54(92)93)78-60(98)42(37(5)6)21-14-15-25-51(89)47(33-36(3)4)82-62(100)43(22-16-18-30-70)79-61(99)45(24-20-32-76-69(73)74)81-65(103)48(34-52(71)90)84-63(101)44-23-17-19-31-75-53(91)28-27-50(87(11)41(10)88)67(105)77-40(9)59(97)83-49(35-55(94)95)66(104)80-44/h36-40,42-50,56-57H,12-35,70H2,1-11H3,(H2,71,90)(H2,72,96)(H,75,91)(H,77,105)(H,78,98)(H,79,99)(H,80,104)(H,81,103)(H,82,100)(H,83,97)(H,84,101)(H,85,106)(H,86,102)(H,92,93)(H,94,95)(H4,73,74,76)/t38-,39-,40-,42?,43-,44-,45-,46-,47-,48-,49-,50+,56-,57-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.


J Med Chem 47: 1075-8 (2004)


Article DOI: 10.1021/jm034180+
BindingDB Entry DOI: 10.7270/Q28P5ZXK
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35714
PNG
(CHEMBL420762 | Mozavaptan | N-[4-(5-Dimethylamino-...)
Show SMILES CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
Show InChI InChI=1S/C27H29N3O2/c1-19-9-4-5-10-22(19)26(31)28-21-16-14-20(15-17-21)27(32)30-18-8-13-24(29(2)3)23-11-6-7-12-25(23)30/h4-7,9-12,14-17,24H,8,13,18H2,1-3H3,(H,28,31)
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Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM35723
PNG
(CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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Second Tokushima Institute of New Drug Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 287: 860-7 (1998)


BindingDB Entry DOI: 10.7270/Q2S46QGC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106478
PNG
(CHEMBL443591 | FGGFTGARKCARKC)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(N)=O
Show InChI InChI=1S/C64H103N23O15S2/c1-35(78-49(90)32-77-62(102)51(37(3)88)87-60(100)45(29-39-18-8-5-9-19-39)80-50(91)31-75-48(89)30-76-55(95)40(67)28-38-16-6-4-7-17-38)53(93)81-43(22-14-26-73-63(69)70)56(96)84-42(21-11-13-25-66)59(99)86-47-34-104-103-33-46(52(68)92)85-58(98)41(20-10-12-24-65)83-57(97)44(23-15-27-74-64(71)72)82-54(94)36(2)79-61(47)101/h4-9,16-19,35-37,40-47,51,88H,10-15,20-34,65-67H2,1-3H3,(H2,68,92)(H,75,89)(H,76,95)(H,77,102)(H,78,90)(H,79,101)(H,80,91)(H,81,93)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106477
PNG
(CHEMBL265801 | FGGFTGARKSARKLADE | Phe-GGFTGARKSAR...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C79H128N26O23/c1-41(2)33-54(73(124)94-44(5)67(118)102-56(36-62(113)114)74(125)97-49(64(83)115)27-28-61(111)112)103-71(122)50(23-13-15-29-80)100-70(121)53(26-18-32-89-79(86)87)99-66(117)43(4)95-76(127)57(40-106)104-72(123)51(24-14-16-30-81)101-69(120)52(25-17-31-88-78(84)85)98-65(116)42(3)93-59(109)39-92-77(128)63(45(6)107)105-75(126)55(35-47-21-11-8-12-22-47)96-60(110)38-90-58(108)37-91-68(119)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,106-107H,13-18,23-40,80-82H2,1-6H3,(H2,83,115)(H,90,108)(H,91,119)(H,92,128)(H,93,109)(H,94,124)(H,95,127)(H,96,110)(H,97,125)(H,98,116)(H,99,117)(H,100,121)(H,101,120)(H,102,118)(H,103,122)(H,104,123)(H,105,126)(H,111,112)(H,113,114)(H4,84,85,88)(H4,86,87,89)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106479
PNG
(CHEMBL384755 | FGGFTGARKSARK | H-FGGFTGARKSARK-NH2...)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C61H100N22O15/c1-34(75-47(87)32-74-59(98)49(36(3)85)83-57(96)44(29-38-18-8-5-9-19-38)77-48(88)31-72-46(86)30-73-53(92)39(64)28-37-16-6-4-7-17-37)51(90)79-43(23-15-27-71-61(68)69)55(94)81-41(21-11-13-25-63)56(95)82-45(33-84)58(97)76-35(2)52(91)80-42(22-14-26-70-60(66)67)54(93)78-40(50(65)89)20-10-12-24-62/h4-9,16-19,34-36,39-45,49,84-85H,10-15,20-33,62-64H2,1-3H3,(H2,65,89)(H,72,86)(H,73,92)(H,74,98)(H,75,87)(H,76,97)(H,77,88)(H,78,93)(H,79,90)(H,80,91)(H,81,94)(H,82,95)(H,83,96)(H4,66,67,70)(H4,68,69,71)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106471
PNG
(CHEMBL406718 | FGGFTGARKCARKC)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C64H105N23O15S2/c1-35(78-49(90)32-77-62(102)51(37(3)88)87-60(100)45(29-39-18-8-5-9-19-39)80-50(91)31-75-48(89)30-76-55(95)40(67)28-38-16-6-4-7-17-38)53(93)81-43(22-14-26-73-63(69)70)56(96)84-42(21-11-13-25-66)59(99)86-47(34-104)61(101)79-36(2)54(94)82-44(23-15-27-74-64(71)72)57(97)83-41(20-10-12-24-65)58(98)85-46(33-103)52(68)92/h4-9,16-19,35-37,40-47,51,88,103-104H,10-15,20-34,65-67H2,1-3H3,(H2,68,92)(H,75,89)(H,76,95)(H,77,102)(H,78,90)(H,79,101)(H,80,91)(H,81,93)(H,82,94)(H,83,97)(H,84,96)(H,85,98)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50223575
PNG
(CHEMBL318448)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C/c2cn(C)c3ccc(Cl)cc23)[nH]n1
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Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106480
PNG
(CHEMBL437915 | FGGFTGARKSARKL)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C67H111N23O16/c1-37(2)30-48(55(71)96)88-61(102)44(22-12-14-26-68)86-60(101)47(25-17-29-77-67(74)75)85-57(98)39(4)82-64(105)50(36-91)89-62(103)45(23-13-15-27-69)87-59(100)46(24-16-28-76-66(72)73)84-56(97)38(3)81-52(94)35-80-65(106)54(40(5)92)90-63(104)49(32-42-20-10-7-11-21-42)83-53(95)34-78-51(93)33-79-58(99)43(70)31-41-18-8-6-9-19-41/h6-11,18-21,37-40,43-50,54,91-92H,12-17,22-36,68-70H2,1-5H3,(H2,71,96)(H,78,93)(H,79,99)(H,80,106)(H,81,94)(H,82,105)(H,83,95)(H,84,97)(H,85,98)(H,86,101)(H,87,100)(H,88,102)(H,89,103)(H,90,104)(H4,72,73,76)(H4,74,75,77)/t38-,39-,40+,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289727
PNG
(4-Hydroxy-piperidine-1-carboxylic acid ((S)-1-{[(S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1
Show InChI InChI=1S/C36H56N6O6/c1-24(2)32(44)21-33(45)29(18-25-10-6-4-7-11-25)39-34(46)31(20-27-22-37-23-38-27)41(3)35(47)30(19-26-12-8-5-9-13-26)40-36(48)42-16-14-28(43)15-17-42/h5,8-9,12-13,22-25,28-33,43-45H,4,6-7,10-11,14-21H2,1-3H3,(H,37,38)(H,39,46)(H,40,48)/t29-,30-,31-,32-,33-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106469
PNG
(CHEMBL269029 | FGGFTCARKCARK | cyclo[Cys6,Cys10]N/...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H100N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45-32-99-100-33-46(59(97)76-35(2)52(90)80-43(23-15-27-72-62(69)70)55(93)81-41(56(94)82-45)21-11-13-25-64)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
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Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50223600
PNG
(CHEMBL316656)
Show SMILES COC(=O)C1CCCC(C1)NCc1cc(\C=C\c2cn(C)c3ccc(Cl)cc23)[nH]n1
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Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2857-62 (2004)


BindingDB Entry DOI: 10.7270/Q2HH6N85
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106470
PNG
(CHEMBL442113 | FGGFTCARKCARK)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C62H102N22O14S2/c1-34(51(89)79-42(22-14-26-71-61(67)68)54(92)78-40(50(66)88)20-10-12-24-63)75-58(96)45(32-99)82-56(94)41(21-11-13-25-64)81-55(93)43(23-15-27-72-62(69)70)80-52(90)35(2)76-59(97)46(33-100)83-60(98)49(36(3)85)84-57(95)44(29-38-18-8-5-9-19-38)77-48(87)31-73-47(86)30-74-53(91)39(65)28-37-16-6-4-7-17-37/h4-9,16-19,34-36,39-46,49,85,99-100H,10-15,20-33,63-65H2,1-3H3,(H2,66,88)(H,73,86)(H,74,91)(H,75,96)(H,76,97)(H,77,87)(H,78,92)(H,79,89)(H,80,90)(H,81,93)(H,82,94)(H,83,98)(H,84,95)(H4,67,68,71)(H4,69,70,72)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1
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n/an/a 3.03n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106476
PNG
(CHEMBL435511 | FGGFTGCRKSCRK)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H98N22O15S2/c1-34(85)49(83-55(94)42(27-36-16-6-3-7-17-36)75-47(87)29-72-46(86)28-73-51(90)37(64)26-35-14-4-2-5-15-35)59(98)74-30-48(88)76-44-32-99-100-33-45(58(97)80-40(20-12-24-70-60(66)67)52(91)77-38(50(65)89)18-8-10-22-62)82-56(95)43(31-84)81-54(93)39(19-9-11-23-63)78-53(92)41(79-57(44)96)21-13-25-71-61(68)69/h2-7,14-17,34,37-45,49,84-85H,8-13,18-33,62-64H2,1H3,(H2,65,89)(H,72,86)(H,73,90)(H,74,98)(H,75,87)(H,76,88)(H,77,91)(H,78,92)(H,79,96)(H,80,97)(H,81,93)(H,82,95)(H,83,94)(H4,66,67,70)(H4,68,69,71)/t34-,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+/m1/s1
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n/an/a 3.04n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106468
PNG
(CHEMBL424934 | FGGFTGCRKSARKC)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O
Show InChI InChI=1S/C64H103N23O16S2/c1-35-53(94)81-42(21-13-25-73-63(69)70)55(96)83-41(20-10-12-24-66)58(99)86-46(52(68)93)33-104-105-34-47(61(102)84-43(22-14-26-74-64(71)72)56(97)82-40(19-9-11-23-65)57(98)85-45(32-88)60(101)78-35)80-50(92)31-77-62(103)51(36(2)89)87-59(100)44(28-38-17-7-4-8-18-38)79-49(91)30-75-48(90)29-76-54(95)39(67)27-37-15-5-3-6-16-37/h3-8,15-18,35-36,39-47,51,88-89H,9-14,19-34,65-67H2,1-2H3,(H2,68,93)(H,75,90)(H,76,95)(H,77,103)(H,78,101)(H,79,91)(H,80,92)(H,81,94)(H,82,97)(H,83,96)(H,84,102)(H,85,98)(H,86,99)(H,87,100)(H4,69,70,73)(H4,71,72,74)/t35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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n/an/a 4.97n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50106475
PNG
(CHEMBL266667 | FGGFTGCRKSCRK)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C61H100N22O15S2/c1-34(85)49(83-55(94)42(27-36-16-6-3-7-17-36)75-47(87)29-72-46(86)28-73-51(90)37(64)26-35-14-4-2-5-15-35)59(98)74-30-48(88)76-44(32-99)57(96)79-41(21-13-25-71-61(68)69)53(92)78-39(19-9-11-23-63)54(93)81-43(31-84)56(95)82-45(33-100)58(97)80-40(20-12-24-70-60(66)67)52(91)77-38(50(65)89)18-8-10-22-62/h2-7,14-17,34,37-45,49,84-85,99-100H,8-13,18-33,62-64H2,1H3,(H2,65,89)(H,72,86)(H,73,90)(H,74,98)(H,75,87)(H,76,88)(H,77,91)(H,78,92)(H,79,96)(H,80,97)(H,81,93)(H,82,95)(H,83,94)(H4,66,67,70)(H4,68,69,71)/t34-,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Tohoku Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-NC from human ORL1 receptor expressing HEK-293 cell membrane


J Med Chem 44: 4015-8 (2001)


BindingDB Entry DOI: 10.7270/Q25H7FJJ
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50289726
PNG
(1H-Benzoimidazole-2-carboxylic acid [(S)-1-((1S,2S...)
Show SMILES CC(C)[C@@H](O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C28H40N6O4/c1-17(2)24(35)14-25(36)22(12-18-8-4-3-5-9-18)33-27(37)23(13-19-15-29-16-30-19)34-28(38)26-31-20-10-6-7-11-21(20)32-26/h6-7,10-11,15-18,22-25,35-36H,3-5,8-9,12-14H2,1-2H3,(H,29,30)(H,31,32)(H,33,37)(H,34,38)/t22-,23-,24-,25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro renin inhibitory effect was evaluated for plasma renin activity (PRA) of human plasma, Expressed as IC50


Bioorg Med Chem Lett 7: 1863-1868 (1997)


Article DOI: 10.1016/S0960-894X(97)00323-5
BindingDB Entry DOI: 10.7270/Q2K64J20
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50006369
PNG
((4R)-6'-chloro-3'-methyl-1'H,2H,5H-spiro[imidazoli...)
Show SMILES CN1C(=O)Nc2ccc(Cl)cc2[C@@]11NC(=O)NC1=O
Show InChI InChI=1S/C11H9ClN4O3/c1-16-10(19)13-7-3-2-5(12)4-6(7)11(16)8(17)14-9(18)15-11/h2-4H,1H3,(H,13,19)(H2,14,15,17,18)/t11-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibitory activity against partially purified aldose reductase from male rabbit lens


J Med Chem 35: 2085-94 (1992)


BindingDB Entry DOI: 10.7270/Q2V123RK
More data for this
Ligand-Target Pair
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