Found 126 hits with Last Name = 'yamano' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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PC cid
PC sid
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| PubMed
| 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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PC cid
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Similars
| PubMed
| 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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PC cid
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
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PC cid
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Patents
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| PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Promotilin
(RABBIT) | BDBM85614
([Leu13]motilin | [leu13]pMOT(1-22))Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
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| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd.
Curated by PDSP Ki Database
| |
Pharmacology 60: 128-35 (2000)
Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM82235
(Gastrin I | Gastrin-17 | Gastrin-I-(1-17))Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:4.4,138.143,38.41,52.60,70.78,88.95,96.98,wD:8.20,130.135,26.37,43.51,61.69,79.87,103.106,110.122,121.125,(26,6.14,;24.67,5.35,;24.67,3.8,;23.32,3.01,;23.32,1.49,;22,.73,;20.68,1.49,;20.68,3.04,;19.35,.73,;19.35,-.76,;20.68,-1.52,;21.94,-.7,;23.15,-1.69,;22.59,-3.1,;23.29,-4.48,;22.45,-5.77,;20.9,-5.71,;20.2,-4.31,;21.04,-2.98,;18,1.49,;16.68,.7,;16.68,-.76,;15.36,1.49,;14.03,.7,;12.68,1.46,;12.68,3.01,;11.36,.68,;11.36,-.79,;12.71,-1.55,;12.71,-3.1,;14.03,-3.86,;15.36,-3.07,;16.71,-3.86,;15.36,-1.55,;14.03,-.79,;10.01,1.44,;8.66,.68,;8.66,-.82,;7.33,1.44,;7.3,2.98,;6.01,.65,;4.66,1.44,;4.66,2.98,;3.34,.65,;3.34,-.84,;4.66,-1.6,;4.66,-3.15,;6.01,-3.91,;3.34,-3.91,;2.01,1.44,;.66,.65,;.66,-.84,;-.61,1.44,;-.61,2.96,;.66,3.74,;.66,5.32,;2.01,6.11,;-.61,6.11,;-1.93,.65,;-3.28,1.41,;-3.28,2.96,;-4.6,.65,;-4.6,-.84,;-3.28,-1.6,;-3.28,-3.15,;-1.93,-3.94,;-4.6,-3.94,;-5.93,1.41,;-7.28,.65,;-7.28,-.84,;-8.6,1.44,;-8.6,2.96,;-7.28,3.74,;-7.28,5.32,;-5.93,6.11,;-8.6,6.11,;-9.95,.65,;-11.33,1.44,;-11.33,2.98,;-12.65,.65,;-12.65,-.82,;-11.33,-1.6,;-11.33,-3.15,;-9.95,-3.94,;-12.65,-3.91,;-13.98,1.44,;-15.33,.68,;-15.33,-.79,;-16.65,1.44,;-16.65,2.96,;-15.3,3.77,;-15.3,5.29,;-13.98,6.08,;-17.97,.68,;-19.32,1.44,;-19.32,2.98,;-20.62,.68,;-19.69,1.83,;-20.39,3.26,;-21.91,2.96,;-21.91,1.44,;-23.24,.68,;-23.24,-.96,;-24.7,1.52,;-23.97,.34,;-24.56,-.98,;-26.16,-.7,;-26.16,.68,;-27.52,1.44,;-27.52,2.98,;-28.84,.68,;-28.84,-.82,;-27.52,-1.55,;-27.52,-3.1,;-26.14,-3.86,;-26.11,-5.4,;-27.52,-6.16,;-24.78,-6.16,;-30.19,1.44,;-31.51,.68,;-31.51,-.82,;-32.84,1.41,;-31.85,.28,;-32.55,-1.1,;-34.07,-.79,;-35.37,-1.58,;-34.07,.68,;24.67,.73,;24.67,-.73,;26,1.49,;27.35,.7,;27.35,-.76,;28.7,-1.55,;30.02,-.76,;28.7,-3.07,;28.7,1.49,;28.7,3.04,;30.02,.7,;31.34,1.49,;31.34,3.01,;32.7,3.83,;32.7,5.38,;34.02,6.16,;35.37,5.38,;35.37,3.83,;34.02,3.01,;32.7,.7,;34.02,1.49,;32.7,-.76,)| Show InChI InChI=1S/C94H128N22O31S2/c1-48(79(133)113-65(43-50-19-21-52(117)22-20-50)80(134)100-47-71(119)103-66(44-51-46-99-54-15-8-7-14-53(51)54)89(143)109-61(35-40-148-2)88(142)114-67(45-77(130)131)90(144)112-64(78(95)132)42-49-12-5-4-6-13-49)101-81(135)56(24-30-72(120)121)104-83(137)57(25-31-73(122)123)105-84(138)58(26-32-74(124)125)106-85(139)59(27-33-75(126)127)107-86(140)60(28-34-76(128)129)108-87(141)62(36-41-149-3)110-91(145)68-17-10-38-115(68)93(147)69-18-11-39-116(69)92(146)63(16-9-37-98-94(96)97)111-82(136)55-23-29-70(118)102-55/h4-8,12-15,19-22,46,48,55-69,99,117H,9-11,16-18,23-45,47H2,1-3H3,(H2,95,132)(H,100,134)(H,101,135)(H,102,118)(H,103,119)(H,104,137)(H,105,138)(H,106,139)(H,107,140)(H,108,141)(H,109,143)(H,110,145)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,98)/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Promotilin
(RABBIT) | BDBM85389
(CAS_52906-92-0 | Motilin)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C120H188N34O35S/c1-9-64(6)97(152-114(184)86-31-22-53-154(86)117(187)96(63(4)5)151-99(169)70(123)56-66-23-12-10-13-24-66)115(185)150-84(57-67-25-14-11-15-26-67)113(183)153-98(65(7)155)116(186)149-83(58-68-32-34-69(156)35-33-68)101(171)135-60-91(161)136-75(39-45-93(163)164)105(175)147-82(55-62(2)3)111(181)145-77(37-43-88(125)158)106(176)140-73(29-20-51-132-119(128)129)103(173)146-80(48-54-190-8)110(180)142-76(36-42-87(124)157)107(177)144-79(41-47-95(167)168)108(178)139-72(28-17-19-50-122)102(172)143-78(40-46-94(165)166)109(179)141-74(30-21-52-133-120(130)131)104(174)148-85(59-90(127)160)112(182)138-71(27-16-18-49-121)100(170)134-61-92(162)137-81(118(188)189)38-44-89(126)159/h10-15,23-26,32-35,62-65,70-86,96-98,155-156H,9,16-22,27-31,36-61,121-123H2,1-8H3,(H2,124,157)(H2,125,158)(H2,126,159)(H2,127,160)(H,134,170)(H,135,171)(H,136,161)(H,137,162)(H,138,182)(H,139,178)(H,140,176)(H,141,179)(H,142,180)(H,143,172)(H,144,177)(H,145,181)(H,146,173)(H,147,175)(H,148,174)(H,149,186)(H,150,185)(H,151,169)(H,152,184)(H,153,183)(H,163,164)(H,165,166)(H,167,168)(H,188,189)(H4,128,129,132)(H4,130,131,133)/t64-,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,96-,97-,98-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd.
Curated by PDSP Ki Database
| |
Pharmacology 60: 128-35 (2000)
Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N |
More data for this
Ligand-Target Pair | |
Promotilin
(RABBIT) | BDBM85615
(L-Phe-L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Gl...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C125H197N35O37/c1-10-67(8)101(158-119(192)90-32-23-54-160(90)122(195)100(66(6)7)157-103(176)73(128)58-69-24-13-11-14-25-69)120(193)156-88(59-70-26-15-12-16-27-70)118(191)159-102(68(9)162)121(194)155-87(60-71-33-35-72(163)36-34-71)105(178)140-63-96(169)142-79(40-46-97(170)171)110(183)153-86(57-65(4)5)116(189)149-80(38-44-92(130)165)111(184)145-76(30-21-52-137-124(133)134)107(180)152-85(56-64(2)3)115(188)150-81(39-45-93(131)166)112(185)148-83(42-48-99(174)175)113(186)144-75(29-18-20-51-127)106(179)147-82(41-47-98(172)173)114(187)146-77(31-22-53-138-125(135)136)108(181)154-89(61-94(132)167)117(190)143-74(28-17-19-50-126)104(177)139-62-95(168)141-78(37-43-91(129)164)109(182)151-84(49-55-161)123(196)197/h11-16,24-27,33-36,64-68,73-90,100-102,161-163H,10,17-23,28-32,37-63,126-128H2,1-9H3,(H2,129,164)(H2,130,165)(H2,131,166)(H2,132,167)(H,139,177)(H,140,178)(H,141,168)(H,142,169)(H,143,190)(H,144,186)(H,145,184)(H,146,187)(H,147,179)(H,148,185)(H,149,189)(H,150,188)(H,151,182)(H,152,180)(H,153,183)(H,154,181)(H,155,194)(H,156,193)(H,157,176)(H,158,192)(H,159,191)(H,170,171)(H,172,173)(H,174,175)(H,196,197)(H4,133,134,137)(H4,135,136,138)/t67-,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,100-,101-,102-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd.
Curated by PDSP Ki Database
| |
Pharmacology 60: 128-35 (2000)
Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N |
More data for this
Ligand-Target Pair | |
Promotilin
(RABBIT) | BDBM85615
(L-Phe-L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Gl...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#8])-[#6](-[#8])=O Show InChI InChI=1S/C125H197N35O37/c1-10-67(8)101(158-119(192)90-32-23-54-160(90)122(195)100(66(6)7)157-103(176)73(128)58-69-24-13-11-14-25-69)120(193)156-88(59-70-26-15-12-16-27-70)118(191)159-102(68(9)162)121(194)155-87(60-71-33-35-72(163)36-34-71)105(178)140-63-96(169)142-79(40-46-97(170)171)110(183)153-86(57-65(4)5)116(189)149-80(38-44-92(130)165)111(184)145-76(30-21-52-137-124(133)134)107(180)152-85(56-64(2)3)115(188)150-81(39-45-93(131)166)112(185)148-83(42-48-99(174)175)113(186)144-75(29-18-20-51-127)106(179)147-82(41-47-98(172)173)114(187)146-77(31-22-53-138-125(135)136)108(181)154-89(61-94(132)167)117(190)143-74(28-17-19-50-126)104(177)139-62-95(168)141-78(37-43-91(129)164)109(182)151-84(49-55-161)123(196)197/h11-16,24-27,33-36,64-68,73-90,100-102,161-163H,10,17-23,28-32,37-63,126-128H2,1-9H3,(H2,129,164)(H2,130,165)(H2,131,166)(H2,132,167)(H,139,177)(H,140,178)(H,141,168)(H,142,169)(H,143,190)(H,144,186)(H,145,184)(H,146,187)(H,147,179)(H,148,185)(H,149,189)(H,150,188)(H,151,182)(H,152,180)(H,153,183)(H,154,181)(H,155,194)(H,156,193)(H,157,176)(H,158,192)(H,159,191)(H,170,171)(H,172,173)(H,174,175)(H,196,197)(H4,133,134,137)(H4,135,136,138)/t67-,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,100-,101-,102-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd.
Curated by PDSP Ki Database
| |
Pharmacology 60: 128-35 (2000)
Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N |
More data for this
Ligand-Target Pair | |
Promotilin
(Homo sapiens (Human)) | BDBM85614
([Leu13]motilin | [leu13]pMOT(1-22))Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C121H190N34O35/c1-10-65(8)98(153-115(185)87-32-23-53-155(87)118(188)97(64(6)7)152-100(170)71(124)56-67-24-13-11-14-25-67)116(186)151-85(57-68-26-15-12-16-27-68)114(184)154-99(66(9)156)117(187)150-84(58-69-33-35-70(157)36-34-69)102(172)136-60-92(162)137-76(40-46-94(164)165)106(176)148-83(55-63(4)5)112(182)145-77(37-43-88(125)158)107(177)141-74(30-21-51-133-120(129)130)104(174)147-82(54-62(2)3)111(181)146-78(38-44-89(126)159)108(178)144-80(42-48-96(168)169)109(179)140-73(29-18-20-50-123)103(173)143-79(41-47-95(166)167)110(180)142-75(31-22-52-134-121(131)132)105(175)149-86(59-91(128)161)113(183)139-72(28-17-19-49-122)101(171)135-61-93(163)138-81(119(189)190)39-45-90(127)160/h11-16,24-27,33-36,62-66,71-87,97-99,156-157H,10,17-23,28-32,37-61,122-124H2,1-9H3,(H2,125,158)(H2,126,159)(H2,127,160)(H2,128,161)(H,135,171)(H,136,172)(H,137,162)(H,138,163)(H,139,183)(H,140,179)(H,141,177)(H,142,180)(H,143,173)(H,144,178)(H,145,182)(H,146,181)(H,147,174)(H,148,176)(H,149,175)(H,150,187)(H,151,186)(H,152,170)(H,153,185)(H,154,184)(H,164,165)(H,166,167)(H,168,169)(H,189,190)(H4,129,130,133)(H4,131,132,134)/t65-,66+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,97-,98-,99-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanwa Kagaku Kenkyusho Co., Ltd.
Curated by PDSP Ki Database
| |
Pharmacology 60: 128-35 (2000)
Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM82403
(CAS_108186 | CI-988 | NSC_108186)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42) | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50061220
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
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CHEMBL
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KEGG
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM82480
(YM022 S-isomer)Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |r,t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM82480
(YM022 S-isomer)Show SMILES Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |r,t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m1/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM50061220
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1 | PDB
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| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM82403
(CAS_108186 | CI-988 | NSC_108186)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42) | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(RAT) | BDBM82235
(Gastrin I | Gastrin-17 | Gastrin-I-(1-17))Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:4.4,138.143,38.41,52.60,70.78,88.95,96.98,wD:8.20,130.135,26.37,43.51,61.69,79.87,103.106,110.122,121.125,(26,6.14,;24.67,5.35,;24.67,3.8,;23.32,3.01,;23.32,1.49,;22,.73,;20.68,1.49,;20.68,3.04,;19.35,.73,;19.35,-.76,;20.68,-1.52,;21.94,-.7,;23.15,-1.69,;22.59,-3.1,;23.29,-4.48,;22.45,-5.77,;20.9,-5.71,;20.2,-4.31,;21.04,-2.98,;18,1.49,;16.68,.7,;16.68,-.76,;15.36,1.49,;14.03,.7,;12.68,1.46,;12.68,3.01,;11.36,.68,;11.36,-.79,;12.71,-1.55,;12.71,-3.1,;14.03,-3.86,;15.36,-3.07,;16.71,-3.86,;15.36,-1.55,;14.03,-.79,;10.01,1.44,;8.66,.68,;8.66,-.82,;7.33,1.44,;7.3,2.98,;6.01,.65,;4.66,1.44,;4.66,2.98,;3.34,.65,;3.34,-.84,;4.66,-1.6,;4.66,-3.15,;6.01,-3.91,;3.34,-3.91,;2.01,1.44,;.66,.65,;.66,-.84,;-.61,1.44,;-.61,2.96,;.66,3.74,;.66,5.32,;2.01,6.11,;-.61,6.11,;-1.93,.65,;-3.28,1.41,;-3.28,2.96,;-4.6,.65,;-4.6,-.84,;-3.28,-1.6,;-3.28,-3.15,;-1.93,-3.94,;-4.6,-3.94,;-5.93,1.41,;-7.28,.65,;-7.28,-.84,;-8.6,1.44,;-8.6,2.96,;-7.28,3.74,;-7.28,5.32,;-5.93,6.11,;-8.6,6.11,;-9.95,.65,;-11.33,1.44,;-11.33,2.98,;-12.65,.65,;-12.65,-.82,;-11.33,-1.6,;-11.33,-3.15,;-9.95,-3.94,;-12.65,-3.91,;-13.98,1.44,;-15.33,.68,;-15.33,-.79,;-16.65,1.44,;-16.65,2.96,;-15.3,3.77,;-15.3,5.29,;-13.98,6.08,;-17.97,.68,;-19.32,1.44,;-19.32,2.98,;-20.62,.68,;-19.69,1.83,;-20.39,3.26,;-21.91,2.96,;-21.91,1.44,;-23.24,.68,;-23.24,-.96,;-24.7,1.52,;-23.97,.34,;-24.56,-.98,;-26.16,-.7,;-26.16,.68,;-27.52,1.44,;-27.52,2.98,;-28.84,.68,;-28.84,-.82,;-27.52,-1.55,;-27.52,-3.1,;-26.14,-3.86,;-26.11,-5.4,;-27.52,-6.16,;-24.78,-6.16,;-30.19,1.44,;-31.51,.68,;-31.51,-.82,;-32.84,1.41,;-31.85,.28,;-32.55,-1.1,;-34.07,-.79,;-35.37,-1.58,;-34.07,.68,;24.67,.73,;24.67,-.73,;26,1.49,;27.35,.7,;27.35,-.76,;28.7,-1.55,;30.02,-.76,;28.7,-3.07,;28.7,1.49,;28.7,3.04,;30.02,.7,;31.34,1.49,;31.34,3.01,;32.7,3.83,;32.7,5.38,;34.02,6.16,;35.37,5.38,;35.37,3.83,;34.02,3.01,;32.7,.7,;34.02,1.49,;32.7,-.76,)| Show InChI InChI=1S/C94H128N22O31S2/c1-48(79(133)113-65(43-50-19-21-52(117)22-20-50)80(134)100-47-71(119)103-66(44-51-46-99-54-15-8-7-14-53(51)54)89(143)109-61(35-40-148-2)88(142)114-67(45-77(130)131)90(144)112-64(78(95)132)42-49-12-5-4-6-13-49)101-81(135)56(24-30-72(120)121)104-83(137)57(25-31-73(122)123)105-84(138)58(26-32-74(124)125)106-85(139)59(27-33-75(126)127)107-86(140)60(28-34-76(128)129)108-87(141)62(36-41-149-3)110-91(145)68-17-10-38-115(68)93(147)69-18-11-39-116(69)92(146)63(16-9-37-98-94(96)97)111-82(136)55-23-29-70(118)102-55/h4-8,12-15,19-22,46,48,55-69,99,117H,9-11,16-18,23-45,47H2,1-3H3,(H2,95,132)(H,100,134)(H,101,135)(H,102,118)(H,103,119)(H,104,137)(H,105,138)(H,106,139)(H,107,140)(H,108,141)(H,109,143)(H,110,145)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,98)/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
Reactome pathway
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Rattus norvegicus (Rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | UniProtKB/SwissProt
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
Reactome pathway
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | Reactome pathway
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Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Glutamate receptor 3
(RAT) | BDBM50056101
(1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,...)Show SMILES Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11| Show InChI InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Yamanouchi Pharmaceutical Co. Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 269: 725-31 (1994)
BindingDB Entry DOI: 10.7270/Q2WD3Z2F |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25041
(N'-[(1E)-{6-cyanoimidazo[1,2-a]pyridin-3-yl}methyl...)Show SMILES CN(\N=C\c1cnc2ccc(cn12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C17H14N6O4S/c1-12-3-5-14(23(24)25)7-16(12)28(26,27)21(2)20-10-15-9-19-17-6-4-13(8-18)11-22(15)17/h3-7,9-11H,1-2H3/b20-10+ | PDB
MMDB
NCI pathway
Reactome pathway
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| PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 5837-44 (2007)
Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25036
(CHEMBL393525 | N'-[(1E)-{6-bromoimidazo[1,2-a]pyri...)Show SMILES CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ | PDB
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Reactome pathway
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| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 5837-44 (2007)
Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25037
(N'-[(1E)-{6-chloroimidazo[1,2-a]pyridin-3-yl}methy...)Show SMILES CN(\N=C\c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C16H14ClN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 5837-44 (2007)
Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25052
(3-{6-bromoimidazo[1,2-a]pyridin-3-yl}-1-[(2-methyl...)Show SMILES Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnc2ccc(Br)cn12)[N+]([O-])=O Show InChI InChI=1S/C17H12BrN5O4S/c1-11-2-4-13(23(24)25)8-16(11)28(26,27)22-7-6-14(20-22)15-9-19-17-5-3-12(18)10-21(15)17/h2-10H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 403-12 (2007)
Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25018
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p110alpha by SPA assay |
Bioorg Med Chem Lett 17: 2438-42 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25018
(3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phe...)Show InChI InChI=1S/C16H15N3O2S/c20-12-3-1-2-11(10-12)15-17-13-4-9-22-14(13)16(18-15)19-5-7-21-8-6-19/h1-4,9-10,20H,5-8H2 | PDB
MMDB
NCI pathway
Reactome pathway
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| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 5837-44 (2007)
Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25056
(4-{6-chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methy...)Show SMILES Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O Show InChI InChI=1S/C17H11ClN4O4S2/c1-10-2-4-12(22(23)24)6-15(10)28(25,26)17-20-13(9-27-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 403-12 (2007)
Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25050
(3-{6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}-1-...)Show SMILES Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C18H14ClN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 403-12 (2007)
Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 5837-44 (2007)
Article DOI: 10.1016/j.bmc.2007.05.070
BindingDB Entry DOI: 10.7270/Q2X928M7 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM25045
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of p110beta |
Bioorg Med Chem Lett 17: 2438-42 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.032
BindingDB Entry DOI: 10.7270/Q28053F2 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25030
(3-{6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl}-1-[...)Show SMILES Cc1nc2ccc(Br)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O Show InChI InChI=1S/C18H14BrN5O4S/c1-11-3-5-14(24(25)26)9-16(11)29(27,28)23-8-7-15(21-23)18-12(2)20-17-6-4-13(19)10-22(17)18/h3-10H,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astellas Pharma Inc.
| Assay Description
The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft... |
Bioorg Med Chem 15: 403-12 (2007)
Article DOI: 10.1016/j.bmc.2006.09.047
BindingDB Entry DOI: 10.7270/Q2SJ1HXZ |
More data for this
Ligand-Target Pair | |
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