Found 50 hits Enz. Inhib. hit(s) with all data for entry = 5463 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-releasing peptide
(Homo sapiens (Human)) | BDBM86499
(Bombesin | CAS_5490336 | Pyr-Gln-Arg-Leu-Gly-Asn-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r,wU:53.61,34.35,8.12,82.92,wD:39.52,30.31,62.69,16.23,74.81,4.4,93.101,102.104,(26.12,-4.99,;27.44,-4.18,;27.44,-2.62,;26.09,-1.86,;26.09,-.32,;24.73,.42,;23.38,-.32,;23.4,-1.88,;22.06,.39,;22.03,1.92,;23.36,2.71,;24.73,1.95,;23.33,4.29,;20.69,-.35,;19.37,.37,;19.34,1.9,;18.02,-.37,;18.02,-1.92,;19.39,-2.69,;20.78,-2.04,;21.85,-3.22,;21.08,-4.57,;19.55,-4.2,;16.68,.35,;15.33,-.39,;15.35,-1.92,;13.99,.32,;12.66,-.42,;11.3,.3,;11.27,1.86,;9.97,-.44,;8.63,.28,;7.26,-.46,;7.28,-1.99,;5.94,.25,;5.94,1.81,;4.59,-.49,;3.27,.25,;3.27,1.79,;1.95,-.49,;1.97,-2.02,;3.27,-2.78,;4.57,-1.97,;5.78,-2.95,;5.22,-4.38,;5.94,-5.78,;5.08,-7.1,;3.53,-7.03,;2.81,-5.61,;3.66,-4.27,;.58,.23,;-.7,-.51,;-.7,-2.06,;-2.06,.21,;-2.06,1.76,;-.74,2.55,;-.74,4.13,;.53,4.92,;-2.11,4.89,;-3.39,-.53,;-4.71,.19,;-4.73,1.72,;-6.05,-.56,;-6.05,-2.09,;-4.69,-2.88,;-3.36,-2.06,;-4.66,-4.43,;-7.42,.16,;-8.77,-.58,;-8.74,-2.11,;-10.11,.14,;-11.41,-.63,;-12.78,.12,;-12.8,1.65,;-14.1,-.65,;-14.08,-2.18,;-12.76,-2.95,;-11.41,-2.16,;-12.73,-4.52,;-15.47,.12,;-16.82,-.67,;-16.79,-2.23,;-18.14,.09,;-18.16,1.6,;-16.84,2.39,;-16.86,3.94,;-15.49,4.75,;-15.52,6.31,;-16.89,7.07,;-14.15,7.1,;-19.48,-.7,;-20.83,.07,;-20.83,1.58,;-22.17,-.72,;-22.15,-2.27,;-20.81,-3.04,;-20.81,-4.62,;-19.44,-5.36,;-22.13,-5.38,;-23.54,.05,;-24.89,-.74,;-24.89,-2.3,;-26.21,.02,;-25.24,-1.09,;-25.96,-2.57,;-27.46,-2.25,;-28.76,-3.04,;-27.46,-.74,;9.97,-1.97,;11.32,-2.76,;8.65,-2.76,;27.42,.42,;28.76,-.3,;27.39,1.97,)| Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86502
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O11/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50071745
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1 | PDB
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CHEMBL
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PC cid
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UniChem
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PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86502
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O11/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1 | Reactome pathway
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86503
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Dap11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(N)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C56H77N17O10/c1-5-6-15-42(49(60)76)67-55(82)45(24-33-12-8-7-9-13-33)72-73(61)47(26-36-28-62-30-65-36)70-52(79)40(58)29-64-56(83)48(31(2)3)71-50(77)32(4)66-54(81)44(25-35-27-63-41-16-11-10-14-38(35)41)69-53(80)43(21-22-46(59)75)68-51(78)39(57)23-34-17-19-37(74)20-18-34/h7-14,16-20,27-28,30-32,39-40,42-45,47-48,63H,5-6,15,21-26,29,57-58H2,1-4H3,(H14-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83)/p+1/t32-,39+,40?,42-,43-,44-,45-,47+,48-/m0/s1 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86508
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-acetyl-Dap11,Phe13,...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C58H79N17O11/c1-6-7-16-43(51(61)79)69-56(84)46(25-35-13-9-8-10-14-35)74-75(62)49(27-38-29-63-31-66-38)72-57(85)47(68-34(5)76)30-65-58(86)50(32(2)3)73-52(80)33(4)67-55(83)45(26-37-28-64-42-17-12-11-15-40(37)42)71-54(82)44(22-23-48(60)78)70-53(81)41(59)24-36-18-20-39(77)21-19-36/h8-15,17-21,28-29,31-33,41,43-47,49-50,64H,6-7,16,22-27,30,59H2,1-5H3,(H15-,60,61,62,63,65,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,83,84,85,86)/p+1/t33-,41+,43-,44-,45-,46-,47?,49+,50-/m0/s1 | UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86503
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Dap11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(N)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C56H77N17O10/c1-5-6-15-42(49(60)76)67-55(82)45(24-33-12-8-7-9-13-33)72-73(61)47(26-36-28-62-30-65-36)70-52(79)40(58)29-64-56(83)48(31(2)3)71-50(77)32(4)66-54(81)44(25-35-27-63-41-16-11-10-14-38(35)41)69-53(80)43(21-22-46(59)75)68-51(78)39(57)23-34-17-19-37(74)20-18-34/h7-14,16-20,27-28,30-32,39-40,42-45,47-48,63H,5-6,15,21-26,29,57-58H2,1-4H3,(H14-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83)/p+1/t32-,39+,40?,42-,43-,44-,45-,47+,48-/m0/s1 | Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86512
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/p+1/t37-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86509
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-benzoyl-Dap11,Phe13...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(55(66)83)73-61(89)50(29-38-15-9-7-10-16-38)79-80(67)53(31-42-33-68-35-71-42)77-62(90)51(76-57(85)40-17-11-8-12-18-40)34-70-63(91)54(36(2)3)78-56(84)37(4)72-60(88)49(30-41-32-69-46-21-14-13-19-44(41)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,32-33,35-37,45,47-51,53-54,69H,5-6,20,26-31,34,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50-,51?,53+,54-/m0/s1 | UniProtKB/SwissProt
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AffyNet
| 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 |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86502
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O11/c1-5-6-15-42(50(60)75)67-55(80)44(26-34-12-8-7-9-13-34)69-56(81)46(28-37-30-61-31-64-37)66-48(74)23-24-62-57(82)49(32(2)3)71-51(76)33(4)65-54(79)45(27-36-29-63-41-16-11-10-14-39(36)41)70-53(78)43(21-22-47(59)73)68-52(77)40(58)25-35-17-19-38(72)20-18-35/h7-14,16-20,29-33,40,42-46,49,63,72H,5-6,15,21-28,58H2,1-4H3,(H2,59,73)(H2,60,75)(H,61,64)(H,62,82)(H,65,79)(H,66,74)(H,67,80)(H,68,77)(H,69,81)(H,70,78)(H,71,76)/t33-,40+,42-,43-,44-,45-,46-,49-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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PC sid
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86505
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-4Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-15-47(56(66)83)72-61(88)51(28-37-12-8-7-9-13-37)78-79(67)53(30-42-33-68-34-70-42)76-54(82)31-49(39-19-21-41(63)22-20-39)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-40-32-69-46-16-11-10-14-44(40)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-17-23-43(80)24-18-38/h7-14,16-24,32-36,45,47-51,53,55,69H,5-6,15,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | Reactome pathway
KEGG
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| PC cid
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86498
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49+,50-,51-,52-,55-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86509
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-benzoyl-Dap11,Phe13...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(55(66)83)73-61(89)50(29-38-15-9-7-10-16-38)79-80(67)53(31-42-33-68-35-71-42)77-62(90)51(76-57(85)40-17-11-8-12-18-40)34-70-63(91)54(36(2)3)78-56(84)37(4)72-60(88)49(30-41-32-69-46-21-14-13-19-44(41)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,32-33,35-37,45,47-51,53-54,69H,5-6,20,26-31,34,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50-,51?,53+,54-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
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PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86508
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-acetyl-Dap11,Phe13,...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C58H79N17O11/c1-6-7-16-43(51(61)79)69-56(84)46(25-35-13-9-8-10-14-35)74-75(62)49(27-38-29-63-31-66-38)72-57(85)47(68-34(5)76)30-65-58(86)50(32(2)3)73-52(80)33(4)67-55(83)45(26-37-28-64-42-17-12-11-15-40(37)42)71-54(82)44(22-23-48(60)78)70-53(81)41(59)24-36-18-20-39(77)21-19-36/h8-15,17-21,28-29,31-33,41,43-47,49-50,64H,6-7,16,22-27,30,59H2,1-5H3,(H15-,60,61,62,63,65,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,83,84,85,86)/p+1/t33-,41+,43-,44-,45-,46-,47?,49+,50-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
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PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86498
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49+,50-,51-,52-,55-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
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Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86499
(Bombesin | CAS_5490336 | Pyr-Gln-Arg-Leu-Gly-Asn-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(N)=O |r,wU:53.61,34.35,8.12,82.92,wD:39.52,30.31,62.69,16.23,74.81,4.4,93.101,102.104,(26.12,-4.99,;27.44,-4.18,;27.44,-2.62,;26.09,-1.86,;26.09,-.32,;24.73,.42,;23.38,-.32,;23.4,-1.88,;22.06,.39,;22.03,1.92,;23.36,2.71,;24.73,1.95,;23.33,4.29,;20.69,-.35,;19.37,.37,;19.34,1.9,;18.02,-.37,;18.02,-1.92,;19.39,-2.69,;20.78,-2.04,;21.85,-3.22,;21.08,-4.57,;19.55,-4.2,;16.68,.35,;15.33,-.39,;15.35,-1.92,;13.99,.32,;12.66,-.42,;11.3,.3,;11.27,1.86,;9.97,-.44,;8.63,.28,;7.26,-.46,;7.28,-1.99,;5.94,.25,;5.94,1.81,;4.59,-.49,;3.27,.25,;3.27,1.79,;1.95,-.49,;1.97,-2.02,;3.27,-2.78,;4.57,-1.97,;5.78,-2.95,;5.22,-4.38,;5.94,-5.78,;5.08,-7.1,;3.53,-7.03,;2.81,-5.61,;3.66,-4.27,;.58,.23,;-.7,-.51,;-.7,-2.06,;-2.06,.21,;-2.06,1.76,;-.74,2.55,;-.74,4.13,;.53,4.92,;-2.11,4.89,;-3.39,-.53,;-4.71,.19,;-4.73,1.72,;-6.05,-.56,;-6.05,-2.09,;-4.69,-2.88,;-3.36,-2.06,;-4.66,-4.43,;-7.42,.16,;-8.77,-.58,;-8.74,-2.11,;-10.11,.14,;-11.41,-.63,;-12.78,.12,;-12.8,1.65,;-14.1,-.65,;-14.08,-2.18,;-12.76,-2.95,;-11.41,-2.16,;-12.73,-4.52,;-15.47,.12,;-16.82,-.67,;-16.79,-2.23,;-18.14,.09,;-18.16,1.6,;-16.84,2.39,;-16.86,3.94,;-15.49,4.75,;-15.52,6.31,;-16.89,7.07,;-14.15,7.1,;-19.48,-.7,;-20.83,.07,;-20.83,1.58,;-22.17,-.72,;-22.15,-2.27,;-20.81,-3.04,;-20.81,-4.62,;-19.44,-5.36,;-22.13,-5.38,;-23.54,.05,;-24.89,-.74,;-24.89,-2.3,;-26.21,.02,;-25.24,-1.09,;-25.96,-2.57,;-27.46,-2.25,;-28.76,-3.04,;-27.46,-.74,;9.97,-1.97,;11.32,-2.76,;8.65,-2.76,;27.42,.42,;28.76,-.3,;27.39,1.97,)| Show InChI InChI=1S/C71H110N24O18S/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1 | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86504
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-2Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86503
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Dap11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(N)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C56H77N17O10/c1-5-6-15-42(49(60)76)67-55(82)45(24-33-12-8-7-9-13-33)72-73(61)47(26-36-28-62-30-65-36)70-52(79)40(58)29-64-56(83)48(31(2)3)71-50(77)32(4)66-54(81)44(25-35-27-63-41-16-11-10-14-38(35)41)69-53(80)43(21-22-46(59)75)68-51(78)39(57)23-34-17-19-37(74)20-18-34/h7-14,16-20,27-28,30-32,39-40,42-45,47-48,63H,5-6,15,21-26,29,57-58H2,1-4H3,(H14-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83)/p+1/t32-,39+,40?,42-,43-,44-,45-,47+,48-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86509
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-benzoyl-Dap11,Phe13...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(=O)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(55(66)83)73-61(89)50(29-38-15-9-7-10-16-38)79-80(67)53(31-42-33-68-35-71-42)77-62(90)51(76-57(85)40-17-11-8-12-18-40)34-70-63(91)54(36(2)3)78-56(84)37(4)72-60(88)49(30-41-32-69-46-21-14-13-19-44(41)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,32-33,35-37,45,47-51,53-54,69H,5-6,20,26-31,34,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50-,51?,53+,54-/m0/s1 | PDB
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National Institutes of Health
Curated by PDSP Ki Database
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J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86500
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Beta-Dap(...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(N)=O |r| Show InChI InChI=1S/C54H71N15O11/c1-29(2)46(54(80)60-20-19-45(72)65-43(24-34-26-59-28-63-34)53(79)67-41(22-31-9-5-4-6-10-31)50(76)62-27-38(56)47(58)73)69-48(74)30(3)64-52(78)42(23-33-25-61-39-12-8-7-11-36(33)39)68-51(77)40(17-18-44(57)71)66-49(75)37(55)21-32-13-15-35(70)16-14-32/h4-16,25-26,28-30,37-38,40-43,46,61,70H,17-24,27,55-56H2,1-3H3,(H2,57,71)(H2,58,73)(H,59,63)(H,60,80)(H,62,76)(H,64,78)(H,65,72)(H,66,75)(H,67,79)(H,68,77)(H,69,74)/t30-,37+,38?,40-,41-,42-,43-,46-/m0/s1 | UniProtKB/SwissProt
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Curated by PDSP Ki Database
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J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86506
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-2Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | Reactome pathway
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Curated by PDSP Ki Database
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J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86508
(CAS_0 | NSC_0 | [D-Tyr6,NAlpha-acetyl-Dap11,Phe13,...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C(CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C58H79N17O11/c1-6-7-16-43(51(61)79)69-56(84)46(25-35-13-9-8-10-14-35)74-75(62)49(27-38-29-63-31-66-38)72-57(85)47(68-34(5)76)30-65-58(86)50(32(2)3)73-52(80)33(4)67-55(83)45(26-37-28-64-42-17-12-11-15-40(37)42)71-54(82)44(22-23-48(60)78)70-53(81)41(59)24-36-18-20-39(77)21-19-36/h8-15,17-21,28-29,31-33,41,43-47,49-50,64H,6-7,16,22-27,30,59H2,1-5H3,(H15-,60,61,62,63,65,66,67,68,69,70,71,72,73,74,76,77,78,79,80,81,82,83,84,85,86)/p+1/t33-,41+,43-,44-,45-,46-,47?,49+,50-/m0/s1 | PDB
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Curated by PDSP Ki Database
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J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM50071745
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86501
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49-,50-,51-,52-,55-/m0/s1 | Reactome pathway
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86497
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11,Phe13,Nle14]Bn(6...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/p+1/t37-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86498
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49+,50-,51-,52-,55-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86512
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/p+1/t37-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86504
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-2Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86507
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H76N16O12/c1-5-6-15-41(50(60)77)66-55(82)44(24-33-12-8-7-9-13-33)72-73(61)47(26-36-29-62-30-64-36)70-48(76)27-45(57(84)85)69-56(83)49(31(2)3)71-51(78)32(4)65-54(81)43(25-35-28-63-40-16-11-10-14-38(35)40)68-53(80)42(21-22-46(59)75)67-52(79)39(58)23-34-17-19-37(74)20-18-34/h7-14,16-20,28-32,39,41-45,47,49,63H,5-6,15,21-27,58H2,1-4H3,(H15-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83,84,85)/p+1/t32-,39+,41-,42-,43-,44-,45+,47+,49-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86511
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,N...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86506
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-2Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86507
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H76N16O12/c1-5-6-15-41(50(60)77)66-55(82)44(24-33-12-8-7-9-13-33)72-73(61)47(26-36-29-62-30-64-36)70-48(76)27-45(57(84)85)69-56(83)49(31(2)3)71-51(78)32(4)65-54(81)43(25-35-28-63-40-16-11-10-14-38(35)40)68-53(80)42(21-22-46(59)75)67-52(79)39(58)23-34-17-19-37(74)20-18-34/h7-14,16-20,28-32,39,41-45,47,49,63H,5-6,15,21-27,58H2,1-4H3,(H15-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83,84,85)/p+1/t32-,39+,41-,42-,43-,44-,45+,47+,49-/m0/s1 | PDB
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86507
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp11,Phe13,Nle14]Bn(...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H76N16O12/c1-5-6-15-41(50(60)77)66-55(82)44(24-33-12-8-7-9-13-33)72-73(61)47(26-36-29-62-30-64-36)70-48(76)27-45(57(84)85)69-56(83)49(31(2)3)71-51(78)32(4)65-54(81)43(25-35-28-63-40-16-11-10-14-38(35)40)68-53(80)42(21-22-46(59)75)67-52(79)39(58)23-34-17-19-37(74)20-18-34/h7-14,16-20,28-32,39,41-45,47,49,63H,5-6,15,21-27,58H2,1-4H3,(H15-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83,84,85)/p+1/t32-,39+,41-,42-,43-,44-,45+,47+,49-/m0/s1 | Reactome pathway
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86511
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,N...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1 | PDB
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| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86511
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Asp(BzlAmd)11,Phe13,N...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)Nc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H81N17O11/c1-5-6-20-47(56(66)84)73-62(90)51(29-38-15-9-7-10-16-38)79-80(67)53(31-42-34-68-35-70-42)77-54(83)32-50(61(89)72-41-17-11-8-12-18-41)76-63(91)55(36(2)3)78-57(85)37(4)71-60(88)49(30-40-33-69-46-21-14-13-19-44(40)46)75-59(87)48(26-27-52(65)82)74-58(86)45(64)28-39-22-24-43(81)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,69H,5-6,20,26-32,64H2,1-4H3,(H15-,65,66,67,68,70,71,72,73,74,75,76,77,78,79,81,82,83,84,85,86,87,88,89,90,91)/p+1/t37-,45+,47-,48-,49-,50+,51-,53+,55-/m0/s1 | Reactome pathway
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| 708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86510
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-4Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-15-47(56(66)83)72-61(88)51(28-37-12-8-7-9-13-37)78-79(67)53(30-42-33-68-34-70-42)76-54(82)31-49(39-19-21-41(63)22-20-39)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-40-32-69-46-16-11-10-14-44(40)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-17-23-43(80)24-18-38/h7-14,16-24,32-36,45,47-51,53,55,69H,5-6,15,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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| 741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86510
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-4Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-15-47(56(66)83)72-61(88)51(28-37-12-8-7-9-13-37)78-79(67)53(30-42-33-68-34-70-42)76-54(82)31-49(39-19-21-41(63)22-20-39)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-40-32-69-46-16-11-10-14-44(40)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-17-23-43(80)24-18-38/h7-14,16-24,32-36,45,47-51,53,55,69H,5-6,15,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | Reactome pathway
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| 776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86498
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49+,50-,51-,52-,55-/m0/s1 | PDB
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| 831 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86505
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-4Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-15-47(56(66)83)72-61(88)51(28-37-12-8-7-9-13-37)78-79(67)53(30-42-33-68-34-70-42)76-54(82)31-49(39-19-21-41(63)22-20-39)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-40-32-69-46-16-11-10-14-44(40)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-17-23-43(80)24-18-38/h7-14,16-24,32-36,45,47-51,53,55,69H,5-6,15,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | UniProtKB/SwissProt
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| 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86510
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-4Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-15-47(56(66)83)72-61(88)51(28-37-12-8-7-9-13-37)78-79(67)53(30-42-33-68-34-70-42)76-54(82)31-49(39-19-21-41(63)22-20-39)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-40-32-69-46-16-11-10-14-44(40)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-17-23-43(80)24-18-38/h7-14,16-24,32-36,45,47-51,53,55,69H,5-6,15,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | PDB
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| 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM86500
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Beta-Dap(...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(N)=O |r| Show InChI InChI=1S/C54H71N15O11/c1-29(2)46(54(80)60-20-19-45(72)65-43(24-34-26-59-28-63-34)53(79)67-41(22-31-9-5-4-6-10-31)50(76)62-27-38(56)47(58)73)69-48(74)30(3)64-52(78)42(23-33-25-61-39-12-8-7-11-36(33)39)68-51(77)40(17-18-44(57)71)66-49(75)37(55)21-32-13-15-35(70)16-14-32/h4-16,25-26,28-30,37-38,40-43,46,61,70H,17-24,27,55-56H2,1-3H3,(H2,57,71)(H2,58,73)(H,59,63)(H,60,80)(H,62,76)(H,64,78)(H,65,72)(H,66,75)(H,67,79)(H,68,77)(H,69,74)/t30-,37+,38?,40-,41-,42-,43-,46-/m0/s1 | Reactome pathway
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86512
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11,Phe13,Nle14]Bn(6...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1)C(N)=O |r| Show InChI InChI=1S/C62H80N16O10/c1-5-6-20-47(56(65)82)71-61(87)51(29-38-15-9-7-10-16-38)77-78(66)53(31-42-34-67-35-69-42)75-54(81)32-49(40-17-11-8-12-18-40)73-62(88)55(36(2)3)76-57(83)37(4)70-60(86)50(30-41-33-68-46-21-14-13-19-44(41)46)74-59(85)48(26-27-52(64)80)72-58(84)45(63)28-39-22-24-43(79)25-23-39/h7-19,21-25,33-37,45,47-51,53,55,68H,5-6,20,26-32,63H2,1-4H3,(H14-,64,65,66,67,69,70,71,72,73,74,75,76,77,79,80,81,82,83,84,85,86,87,88)/p+1/t37-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | PDB
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide
(Homo sapiens (Human)) | BDBM86501
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49-,50-,51-,52-,55-/m0/s1 | UniProtKB/SwissProt
GoogleScholar
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| PC cid
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| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86498
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49+,50-,51-,52-,55-/m0/s1 | PDB
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| 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86506
(CAS_0 | NSC_0 | [D-Tyr6,(S)-Apa11-2Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49-,50-,51-,53+,55-/m0/s1 | PDB
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| 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86504
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-2Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccccc1Cl)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-19-47(56(66)83)72-61(88)51(28-37-14-8-7-9-15-37)78-79(67)53(30-40-33-68-34-70-40)76-54(82)31-49(43-17-10-12-18-44(43)63)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-39-32-69-46-20-13-11-16-42(39)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-21-23-41(80)24-22-38/h7-18,20-24,32-36,45,47-51,53,55,69H,5-6,19,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | PDB
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| 6.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86505
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-4Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N[N+](=N)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1ccc(Cl)cc1)C(N)=O |r| Show InChI InChI=1S/C62H79ClN16O10/c1-5-6-15-47(56(66)83)72-61(88)51(28-37-12-8-7-9-13-37)78-79(67)53(30-42-33-68-34-70-42)76-54(82)31-49(39-19-21-41(63)22-20-39)74-62(89)55(35(2)3)77-57(84)36(4)71-60(87)50(29-40-32-69-46-16-11-10-14-44(40)46)75-59(86)48(25-26-52(65)81)73-58(85)45(64)27-38-17-23-43(80)24-18-38/h7-14,16-24,32-36,45,47-51,53,55,69H,5-6,15,25-31,64H2,1-4H3,(H14-,65,66,67,68,70,71,72,73,74,75,76,77,78,80,81,82,83,84,85,86,87,88,89)/p+1/t36-,45+,47-,48-,49+,50-,51-,53+,55-/m0/s1 | PDB
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| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86500
(CAS_0 | NSC_0 | [D-Tyr6,Beta-Ala11,Phe13,Beta-Dap(...)Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(N)=O |r| Show InChI InChI=1S/C54H71N15O11/c1-29(2)46(54(80)60-20-19-45(72)65-43(24-34-26-59-28-63-34)53(79)67-41(22-31-9-5-4-6-10-31)50(76)62-27-38(56)47(58)73)69-48(74)30(3)64-52(78)42(23-33-25-61-39-12-8-7-11-36(33)39)68-51(77)40(17-18-44(57)71)66-49(75)37(55)21-32-13-15-35(70)16-14-32/h4-16,25-26,28-30,37-38,40-43,46,61,70H,17-24,27,55-56H2,1-3H3,(H2,57,71)(H2,58,73)(H,59,63)(H,60,80)(H,62,76)(H,64,78)(H,65,72)(H,66,75)(H,67,79)(H,68,77)(H,69,74)/t30-,37+,38?,40-,41-,42-,43-,46-/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 |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM86501
(CAS_0 | NSC_0 | [D-Tyr6,(R)-Apa11-3Cl,Phe13,Nle14]...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)c1cccc(Cl)c1)C(N)=O |r| Show InChI InChI=1S/C63H79ClN14O11/c1-5-6-18-47(56(67)82)73-61(87)50(27-37-13-8-7-9-14-37)76-62(88)52(30-42-33-68-34-70-42)72-54(81)31-49(39-15-12-16-41(64)28-39)75-63(89)55(35(2)3)78-57(83)36(4)71-60(86)51(29-40-32-69-46-19-11-10-17-44(40)46)77-59(85)48(24-25-53(66)80)74-58(84)45(65)26-38-20-22-43(79)23-21-38/h7-17,19-23,28,32-36,45,47-52,55,69,79H,5-6,18,24-27,29-31,65H2,1-4H3,(H2,66,80)(H2,67,82)(H,68,70)(H,71,86)(H,72,81)(H,73,87)(H,74,84)(H,75,89)(H,76,88)(H,77,85)(H,78,83)/t36-,45+,47-,48-,49-,50-,51-,52-,55-/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 |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50071745
(CHEMBL403317 | Compound NMB | Gly-Asn-Leu-Trp-Ala-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1 | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1161-70 (2004)
Article DOI: 10.1124/jpet.104.066761
BindingDB Entry DOI: 10.7270/Q2513WSQ |
More data for this
Ligand-Target Pair | |
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