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143 similar compounds to monomer 50451759

Compile data set for download or QSAR
Wt: 820.9
BDBM50451760
Wt: 1296.4
BDBM84704
Wt: 1238.3
BDBM84706
Wt: 1296.4
BDBM84714
Wt: 1296.4
BDBM84715
Wt: 1223.4
BDBM84716
Wt: 1521.7
BDBM85479
Wt: 1587.8
BDBM85491
Wt: 820.9
BDBM50451761
Wt: 776.9
BDBM50451763
Wt: 800.7
BDBM50124777
Wt: 814.9
BDBM50124772
Wt: 770.8
BDBM50124780
Wt: 685.7
BDBM50454567
Wt: 1038.2
BDBM50454619
Displayed 1 to 15 (of 143 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50451760,84704,84706,84714,84715,84716,85479,85491,50451761,50451763,50124777,50124772,50124780,50454567,50454619   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84715
PNG
(deslorelin 7NMeLeu)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1/C65H85N17O12/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-62(92)54(26-36(2)3)81(4)63(93)51(29-39-32-72-45-15-9-7-13-43(39)45)79-57(87)48(27-37-18-20-41(84)21-19-37)76-60(90)52(34-83)80-58(88)49(28-38-31-71-44-14-8-6-12-42(38)44)77-59(89)50(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,86)(H,79,87)(H,80,88)(H4,66,67,70)/t46-,47-,48-,49-,50-,51+,52-,53-,54-/s2
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0.0600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84704
PNG
(deslorelin 4NMeSer)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1/C65H85N17O12/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-57(87)48(26-36(2)3)76-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)77-58(88)49(27-37-18-20-41(84)21-19-37)79-62(92)54(34-83)81(4)63(93)52(29-39-32-72-45-15-9-7-13-43(39)45)80-60(90)51(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,87)(H,76,89)(H,77,88)(H,78,86)(H,79,92)(H,80,90)(H4,66,67,70)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/s2
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84714
PNG
(deslorelin 8NMeArg)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1/C65H85N17O12/c1-5-69-62(92)53-17-11-25-82(53)64(94)54(16-10-24-70-65(66)67)81(4)63(93)51(26-36(2)3)79-58(88)48(28-38-31-71-44-14-8-6-12-42(38)44)76-57(87)47(27-37-18-20-41(84)21-19-37)75-61(91)52(34-83)80-59(89)49(29-39-32-72-45-15-9-7-13-43(39)45)77-60(90)50(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,92)(H,74,85)(H,75,91)(H,76,87)(H,77,90)(H,78,86)(H,79,88)(H,80,89)(H4,66,67,70)/t46-,47-,48+,49-,50-,51-,52-,53-,54-/s2
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84706
PNG
(leuprolide 10SarNH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1/C59H83N17O13/c1-31(2)21-41(51(82)69-40(11-7-19-64-59(61)62)58(89)76-20-8-12-47(76)57(88)66-28-48(60)79)70-52(83)42(22-32(3)4)71-53(84)43(23-33-13-15-36(78)16-14-33)72-56(87)46(29-77)75-54(85)44(24-34-26-65-38-10-6-5-9-37(34)38)73-55(86)45(25-35-27-63-30-67-35)74-50(81)39-17-18-49(80)68-39/h5-6,9-10,13-16,26-27,30-32,39-47,65,77-78H,7-8,11-12,17-25,28-29H2,1-4H3,(H2,60,79)(H,63,67)(H,66,88)(H,68,80)(H,69,82)(H,70,83)(H,71,84)(H,72,87)(H,73,86)(H,74,81)(H,75,85)(H4,61,62,64)/t39-,40-,41-,42+,43-,44-,45-,46-,47-/s2
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10.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Luteinizing Hormone-Releasing Hormone LHRH


(RAT)
BDBM84716
PNG
(leuprolide 8NMeArg)
Show SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1/C60H86N16O12/c1-7-64-57(86)48-15-11-23-76(48)59(88)49(14-10-22-65-60(61)62)75(6)58(87)46(25-34(4)5)73-52(81)42(24-33(2)3)69-53(82)43(26-35-16-18-38(78)19-17-35)70-56(85)47(31-77)74-54(83)44(27-36-29-66-40-13-9-8-12-39(36)40)71-55(84)45(28-37-30-63-32-67-37)72-51(80)41-20-21-50(79)68-41/h8-9,12-13,16-19,29-30,32-34,41-49,66,77-78H,7,10-11,14-15,20-28,31H2,1-6H3,(H,63,67)(H,64,86)(H,68,79)(H,69,82)(H,70,85)(H,71,84)(H,72,80)(H,73,81)(H,74,83)(H4,61,62,65)/t41-,42+,43-,44-,45-,46-,47-,48-,49-/s2
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347n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Med Chem 36: 363-9 (1993)


Article DOI: 10.1021/jm00055a007
BindingDB Entry DOI: 10.7270/Q2GQ6W8T
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85491
PNG
(Leu13,Psi(CH2NH),Leu14-BN)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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
Show InChI InChI=1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
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430n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Gastrin-Releasing peptide


(RAT)
BDBM85479
PNG
(DPhe6-Bn(1-13)NH2)
Show SMILES CC(C)C[C@H](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](Cc1ccccc1)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
Show InChI InChI=1S/C71H104N22O16/c1-36(2)26-49(60(74)99)90-69(108)53(30-42-32-77-35-82-42)86-58(98)34-81-70(109)59(38(5)6)93-61(100)39(7)83-67(106)52(29-41-31-79-44-17-12-11-16-43(41)44)92-66(105)48(20-23-55(73)95)89-68(107)51(28-40-14-9-8-10-15-40)85-57(97)33-80-62(101)50(27-37(3)4)91-63(102)45(18-13-25-78-71(75)76)87-65(104)47(19-22-54(72)94)88-64(103)46-21-24-56(96)84-46/h8-12,14-17,31-32,35-39,45-53,59,79H,13,18-30,33-34H2,1-7H3,(H2,72,94)(H2,73,95)(H2,74,99)(H,77,82)(H,80,101)(H,81,109)(H,83,106)(H,84,96)(H,85,97)(H,86,98)(H,87,104)(H,88,103)(H,89,107)(H,90,108)(H,91,102)(H,92,105)(H,93,100)(H4,75,76,78)/t39-,45-,46-,47-,48-,49-,50-,51+,52-,53-,59-/m0/s1
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450n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85491
PNG
(Leu13,Psi(CH2NH),Leu14-BN)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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
Show InChI InChI=1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
NMB


(RAT)
BDBM85491
PNG
(Leu13,Psi(CH2NH),Leu14-BN)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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
Show InChI InChI=1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM85479
PNG
(DPhe6-Bn(1-13)NH2)
Show SMILES CC(C)C[C@H](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](Cc1ccccc1)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
Show InChI InChI=1S/C71H104N22O16/c1-36(2)26-49(60(74)99)90-69(108)53(30-42-32-77-35-82-42)86-58(98)34-81-70(109)59(38(5)6)93-61(100)39(7)83-67(106)52(29-41-31-79-44-17-12-11-16-43(41)44)92-66(105)48(20-23-55(73)95)89-68(107)51(28-40-14-9-8-10-15-40)85-57(97)33-80-62(101)50(27-37(3)4)91-63(102)45(18-13-25-78-71(75)76)87-65(104)47(19-22-54(72)94)88-64(103)46-21-24-56(96)84-46/h8-12,14-17,31-32,35-39,45-53,59,79H,13,18-30,33-34H2,1-7H3,(H2,72,94)(H2,73,95)(H2,74,99)(H,77,82)(H,80,101)(H,81,109)(H,83,106)(H,84,96)(H,85,97)(H,86,98)(H,87,104)(H,88,103)(H,89,107)(H,90,108)(H,91,102)(H,92,105)(H,93,100)(H4,75,76,78)/t39-,45-,46-,47-,48-,49-,50-,51+,52-,53-,59-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85479
PNG
(DPhe6-Bn(1-13)NH2)
Show SMILES CC(C)C[C@H](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](Cc1ccccc1)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
Show InChI InChI=1S/C71H104N22O16/c1-36(2)26-49(60(74)99)90-69(108)53(30-42-32-77-35-82-42)86-58(98)34-81-70(109)59(38(5)6)93-61(100)39(7)83-67(106)52(29-41-31-79-44-17-12-11-16-43(41)44)92-66(105)48(20-23-55(73)95)89-68(107)51(28-40-14-9-8-10-15-40)85-57(97)33-80-62(101)50(27-37(3)4)91-63(102)45(18-13-25-78-71(75)76)87-65(104)47(19-22-54(72)94)88-64(103)46-21-24-56(96)84-46/h8-12,14-17,31-32,35-39,45-53,59,79H,13,18-30,33-34H2,1-7H3,(H2,72,94)(H2,73,95)(H2,74,99)(H,77,82)(H,80,101)(H,81,109)(H,83,106)(H,84,96)(H,85,97)(H,86,98)(H,87,104)(H,88,103)(H,89,107)(H,90,108)(H,91,102)(H,92,105)(H,93,100)(H4,75,76,78)/t39-,45-,46-,47-,48-,49-,50-,51+,52-,53-,59-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
BRS3


(Homo sapiens (Human))
BDBM85491
PNG
(Leu13,Psi(CH2NH),Leu14-BN)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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
Show InChI InChI=1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
NMB


(RAT)
BDBM85479
PNG
(DPhe6-Bn(1-13)NH2)
Show SMILES CC(C)C[C@H](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](Cc1ccccc1)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
Show InChI InChI=1S/C71H104N22O16/c1-36(2)26-49(60(74)99)90-69(108)53(30-42-32-77-35-82-42)86-58(98)34-81-70(109)59(38(5)6)93-61(100)39(7)83-67(106)52(29-41-31-79-44-17-12-11-16-43(41)44)92-66(105)48(20-23-55(73)95)89-68(107)51(28-40-14-9-8-10-15-40)85-57(97)33-80-62(101)50(27-37(3)4)91-63(102)45(18-13-25-78-71(75)76)87-65(104)47(19-22-54(72)94)88-64(103)46-21-24-56(96)84-46/h8-12,14-17,31-32,35-39,45-53,59,79H,13,18-30,33-34H2,1-7H3,(H2,72,94)(H2,73,95)(H2,74,99)(H,77,82)(H,80,101)(H,81,109)(H,83,106)(H,84,96)(H,85,97)(H,86,98)(H,87,104)(H,88,103)(H,89,107)(H,90,108)(H,91,102)(H,92,105)(H,93,100)(H4,75,76,78)/t39-,45-,46-,47-,48-,49-,50-,51+,52-,53-,59-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochemistry 38: 7307-20 (1999)


Article DOI: 10.1021/bi990204w
BindingDB Entry DOI: 10.7270/Q29022BG
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454619
PNG
(CHEMBL2114258)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)[C@@H](C)c1ccccc1)C(N)=O
Show InChI InChI=1S/C51H71N15O9/c1-4-5-17-37(60-30(3)67)45(70)65-41-25-42(68)56-21-12-11-19-36(44(52)69)61-47(72)39(23-32-26-58-35-18-10-9-16-34(32)35)63-46(71)38(20-13-22-57-51(53)54)62-50(75)43(29(2)31-14-7-6-8-15-31)66-49(74)40(64-48(41)73)24-33-27-55-28-59-33/h6-10,14-16,18,26-29,36-41,43,58H,4-5,11-13,17,19-25H2,1-3H3,(H2,52,69)(H,55,59)(H,56,68)(H,60,67)(H,61,72)(H,62,75)(H,63,71)(H,64,73)(H,65,70)(H,66,74)(H4,53,54,57)/t29-,36-,37-,38-,39-,40-,41-,43+/m0/s1
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n/an/an/an/a 17n/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Decrease in frog skin reflectivity (melanotropic activity).


J Med Chem 40: 2740-9 (1997)


Article DOI: 10.1021/jm970018t
BindingDB Entry DOI: 10.7270/Q2057GKD
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124777
PNG
((S)-2-{(S)-2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H47Cl2N11O6/c1-2-7-31(51)46-29(17-23-18-42-20-45-23)35(55)49-28(15-21-8-4-3-5-9-21)34(54)47-26(10-6-13-43-36(40)41)33(53)48-27(32(52)44-19-30(39)50)16-22-11-12-24(37)25(38)14-22/h3-5,8-9,11-12,14,18,20,26-29H,2,6-7,10,13,15-17,19H2,1H3,(H2,39,50)(H,42,45)(H,44,52)(H,46,51)(H,47,54)(H,48,53)(H,49,55)(H4,40,41,43)/t26-,27-,28+,29-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451760
PNG
(CHEMBL2371220)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor (M1 and M4)


(Homo sapiens (Human))
BDBM50451760
PNG
(CHEMBL2371220)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50454567
PNG
(CHEMBL2114996)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27+,28-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 5 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50454567
PNG
(CHEMBL2114996)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27+,28-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 3 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50454567
PNG
(CHEMBL2114996)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27+,28-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 1 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50454567
PNG
(CHEMBL2114996)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H43N11O5/c1-20(46)42-29(16-23-18-38-19-41-23)33(50)45-28(14-21-8-3-2-4-9-21)32(49)43-26(12-7-13-39-34(36)37)31(48)44-27(30(35)47)15-22-17-40-25-11-6-5-10-24(22)25/h2-6,8-11,17-19,26-29,40H,7,12-16H2,1H3,(H2,35,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,36,37,39)/t26-,27+,28-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Michigan Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from Melanocortin 4 receptor at 10 uM


J Med Chem 40: 2133-9 (1997)


Article DOI: 10.1021/jm960840h
BindingDB Entry DOI: 10.7270/Q28K79R6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451763
PNG
(CHEMBL2112919)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1
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n/an/an/an/a 8n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50124780
PNG
((S)-2-[2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30+,31-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451763
PNG
(CHEMBL2112919)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C36H48N12O6S/c1-2-7-31(50)45-28(15-22-18-40-20-44-22)34(53)48-29(16-23-8-6-13-55-23)35(54)46-26(11-5-12-41-36(38)39)33(52)47-27(32(51)43-19-30(37)49)14-21-17-42-25-10-4-3-9-24(21)25/h3-4,6,8-10,13,17-18,20,26-29,42H,2,5,7,11-12,14-16,19H2,1H3,(H2,37,49)(H,40,44)(H,43,51)(H,45,50)(H,46,54)(H,47,52)(H,48,53)(H4,38,39,41)/t26-,27-,28-,29+/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC1R using HEK293 cells was determined by measuring the cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124772
PNG
((S)-2-{2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C40H54N12O7/c1-3-8-35(54)49-33(19-26-21-44-23-48-26)39(58)51-31(17-24-12-14-27(15-13-24)59-4-2)38(57)50-30(11-7-16-45-40(42)43)37(56)52-32(36(55)47-22-34(41)53)18-25-20-46-29-10-6-5-9-28(25)29/h5-6,9-10,12-15,20-21,23,30-33,46H,3-4,7-8,11,16-19,22H2,1-2H3,(H2,41,53)(H,44,48)(H,47,55)(H,49,54)(H,50,57)(H,51,58)(H,52,56)(H4,42,43,45)/t30-,31+,32-,33-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50451760
PNG
(CHEMBL2371220)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC1R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451760
PNG
(CHEMBL2371220)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-9-37(56)51-35(20-28-22-46-24-50-28)41(60)54-34(18-26-12-7-11-25-10-3-4-13-29(25)26)40(59)52-32(16-8-17-47-42(44)45)39(58)53-33(38(57)49-23-36(43)55)19-27-21-48-31-15-6-5-14-30(27)31/h3-7,10-15,21-22,24,32-35,48H,2,8-9,16-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,44,45,47)/t32-,33-,34+,35-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50124780
PNG
((S)-2-[2-[(S)-2-Butyrylamino-3-(3H-imidazol-4-yl)-...)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C38H50N12O6/c1-2-9-33(52)47-31(18-25-20-42-22-46-25)37(56)49-29(16-23-10-4-3-5-11-23)36(55)48-28(14-8-15-43-38(40)41)35(54)50-30(34(53)45-21-32(39)51)17-24-19-44-27-13-7-6-12-26(24)27/h3-7,10-13,19-20,22,28-31,44H,2,8-9,14-18,21H2,1H3,(H2,39,51)(H,42,46)(H,45,53)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,40,41,43)/t28-,29+,30+,31-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Effective concentration against hMC4R using HEK293 cells was determined by measuring cAMP accumulation at 50 uM


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50451761
PNG
(CHEMBL2371218)
Show SMILES CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show InChI InChI=1S/C42H52N12O6/c1-2-8-37(56)51-35(20-29-22-46-24-50-29)41(60)53-33(18-25-14-15-26-9-3-4-10-27(26)17-25)40(59)52-32(13-7-16-47-42(44)45)39(58)54-34(38(57)49-23-36(43)55)19-28-21-48-31-12-6-5-11-30(28)31/h3-6,9-12,14-15,17,21-22,24,32-35,48H,2,7-8,13,16,18-20,23H2,1H3,(H2,43,55)(H,46,50)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,44,45,47)/t32-,33+,34-,35-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound was determined against hMC4R through displacement of NDP-MSH radioligand using HEK293 cells


Bioorg Med Chem Lett 13: 649-52 (2003)


Article DOI: 10.1016/s0960-894x(02)01052-1
BindingDB Entry DOI: 10.7270/Q2V69J0G
More data for this
Ligand-Target Pair