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138 similar compounds to monomer 50062351

Compile data set for download or QSAR
Wt: 1412.6
BDBM85504
Wt: 796.9
BDBM50001317
Wt: 779.9
BDBM50013638
Wt: 729.9
BDBM50014119
Wt: 659.8
BDBM50014121
Wt: 729.9
BDBM50014128
Wt: 686.8
BDBM50014133
Wt: 672.8
BDBM50014135
Wt: 672.8
BDBM50014143
Wt: 752.9
BDBM50007822
Wt: 782.9
BDBM50013640
Wt: 1017.2
BDBM50211369
Wt: 1081.3
BDBM50211393
Wt: 1057.2
BDBM50211379
Wt: 612.7
BDBM50033602
Displayed 1 to 15 (of 138 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 85504,50001317,50013638,50014119,50014121,50014128,50014133,50014135,50014143,50007822,50013640,50211369,50211393,50211379,50033602   
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
Oxytocin receptor


(RAT)
BDBM50013638
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38+/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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49n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxytocin binding to rat uterine Oxytocin receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50013638
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38+/m0/s1
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260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-arginine vasopressin binding to rat kidney medulla Vasopressin V2 receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Bombesin 4


(Frog)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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955n/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
Vasopressin V1 receptor


(RAT)
BDBM50013640
PNG
(18-(3-Amino-propyl)-15-benzyl-3-sec-butyl-6-(1H-in...)
Show SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C43H58N8O6/c1-4-27(2)37-43(57)51-22-11-10-19-34(51)39(53)46-32(18-12-21-44)41(55)49(3)36(24-28-14-6-5-7-15-28)42(56)50-23-13-20-35(50)40(54)47-33(38(52)48-37)25-29-26-45-31-17-9-8-16-30(29)31/h5-9,14-17,26-27,32-37,45H,4,10-13,18-25,44H2,1-3H3,(H,46,53)(H,47,54)(H,48,52)/t27-,32+,33-,34-,35+,36-,37-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50013638
PNG
(24-benzyl-16-(1H-3-indolylmethyl)-25-methyl-13-[1-...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H57N7O6/c1-4-28(2)38-44(57)51-23-13-11-20-36(51)42(55)50-22-12-10-19-35(50)41(54)48(3)37(25-29-15-6-5-7-16-29)43(56)49-24-14-21-34(49)40(53)46-33(39(52)47-38)26-30-27-45-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,45H,4,10-14,19-26H2,1-3H3,(H,46,53)(H,47,52)/t28-,33+,34-,35-,36+,37+,38+/m0/s1
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3.50E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]arginine vasopressin binding to rat liver Vasopressin V1 receptor


J Med Chem 33: 1843-5 (1990)


Article DOI: 10.1021/jm00169a001
BindingDB Entry DOI: 10.7270/Q2JS9PDK
More data for this
Ligand-Target Pair
NMB


(RAT)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/s1
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4.10E+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
Gastrin-Releasing peptide


(RAT)
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/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))
BDBM85504
PNG
(Substance P,[DArg1,DTrp7,9,Leu11])
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N)C(N)=O
Show InChI InChI=1S/C72H101N17O13/c1-40(2)33-53(62(77)92)83-65(95)54(34-41(3)4)84-67(97)57(37-45-39-79-49-22-12-10-20-47(45)49)87-66(96)55(35-43-17-7-6-8-18-43)85-68(98)56(36-44-38-78-48-21-11-9-19-46(44)48)86-64(94)50(26-28-60(75)90)80-63(93)51(27-29-61(76)91)81-69(99)59-25-16-32-89(59)72(102)52(23-13-14-30-73)82-70(100)58-24-15-31-88(58)71(101)42(5)74/h6-12,17-22,38-42,50-59,78-79H,13-16,23-37,73-74H2,1-5H3,(H2,75,90)(H2,76,91)(H2,77,92)(H,80,93)(H,81,99)(H,82,100)(H,83,95)(H,84,97)(H,85,98)(H,86,94)(H,87,96)/t42-,50+,51+,52+,53+,54+,55+,56-,57+,58+,59+/m1/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
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211369
PNG
(Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/an/an/a 0.230n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211379
PNG
(Ac-Nle4-cyclo(Asp5-Chg6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C58H76N10O9/c1-3-4-22-45(62-36(2)69)53(72)64-47-34-50(70)60-30-15-13-24-44(52(59)71)63-54(73)46(33-41-35-61-43-23-12-11-21-42(41)43)65-56(75)49-25-14-16-31-68(49)58(77)48(32-37-26-28-39(29-27-37)38-17-7-5-8-18-38)66-57(76)51(67-55(47)74)40-19-9-6-10-20-40/h5,7-8,11-12,17-18,21,23,26-29,35,40,44-49,51,61H,3-4,6,9-10,13-16,19-20,22,24-25,30-34H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,75)(H,66,76)(H,67,74)/t44?,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014119
PNG
(6-Amino-2-[3-benzyl-6-(2,2-dimethyl-propylamino)-2...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C41H59N7O5/c1-27(2)20-22-43-37(50)33(24-29-25-44-31-16-10-9-15-30(29)31)46-39(52)35(17-11-12-21-42)48-36(49)19-18-32(45-26-41(3,4)5)38(51)47-34(40(48)53)23-28-13-7-6-8-14-28/h6-10,13-16,25,27,32-35,44-45H,11-12,17-24,26,42H2,1-5H3,(H,43,50)(H,46,52)(H,47,51)/t32-,33+,34-,35+/m1/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211369
PNG
(Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211379
PNG
(Ac-Nle4-cyclo(Asp5-Chg6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C58H76N10O9/c1-3-4-22-45(62-36(2)69)53(72)64-47-34-50(70)60-30-15-13-24-44(52(59)71)63-54(73)46(33-41-35-61-43-23-12-11-21-42(41)43)65-56(75)49-25-14-16-31-68(49)58(77)48(32-37-26-28-39(29-27-37)38-17-7-5-8-18-38)66-57(76)51(67-55(47)74)40-19-9-6-10-20-40/h5,7-8,11-12,17-18,21,23,26-29,35,40,44-49,51,61H,3-4,6,9-10,13-16,19-20,22,24-25,30-34H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,75)(H,66,76)(H,67,74)/t44?,45-,46-,47-,48-,49-,51-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human melanocortin receptor 1b expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50211393
PNG
(Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bic7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](CC2CCC(CC2)C2CCCCC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O)C(N)=O
Show InChI InChI=1S/C59H88N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h9-10,19,21,35,37-40,44-51,62H,3-8,11-18,20,22-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t37?,39?,40?,44?,45-,46-,47-,48-,49?,50-,51+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50211379
PNG
(Ac-Nle4-cyclo(Asp5-Chg6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C58H76N10O9/c1-3-4-22-45(62-36(2)69)53(72)64-47-34-50(70)60-30-15-13-24-44(52(59)71)63-54(73)46(33-41-35-61-43-23-12-11-21-42(41)43)65-56(75)49-25-14-16-31-68(49)58(77)48(32-37-26-28-39(29-27-37)38-17-7-5-8-18-38)66-57(76)51(67-55(47)74)40-19-9-6-10-20-40/h5,7-8,11-12,17-18,21,23,26-29,35,40,44-49,51,61H,3-4,6,9-10,13-16,19-20,22,24-25,30-34H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,75)(H,66,76)(H,67,74)/t44?,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50211369
PNG
(Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC3R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50211393
PNG
(Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bic7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](CC2CCC(CC2)C2CCCCC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O)C(N)=O
Show InChI InChI=1S/C59H88N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h9-10,19,21,35,37-40,44-51,62H,3-8,11-18,20,22-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t37?,39?,40?,44?,45-,46-,47-,48-,49?,50-,51+/m0/s1
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n/an/an/an/a>500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211369
PNG
(Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211379
PNG
(Ac-Nle4-cyclo(Asp5-Chg6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C58H76N10O9/c1-3-4-22-45(62-36(2)69)53(72)64-47-34-50(70)60-30-15-13-24-44(52(59)71)63-54(73)46(33-41-35-61-43-23-12-11-21-42(41)43)65-56(75)49-25-14-16-31-68(49)58(77)48(32-37-26-28-39(29-27-37)38-17-7-5-8-18-38)66-57(76)51(67-55(47)74)40-19-9-6-10-20-40/h5,7-8,11-12,17-18,21,23,26-29,35,40,44-49,51,61H,3-4,6,9-10,13-16,19-20,22,24-25,30-34H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,75)(H,66,76)(H,67,74)/t44?,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50211379
PNG
(Ac-Nle4-cyclo(Asp5-Chg6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C58H76N10O9/c1-3-4-22-45(62-36(2)69)53(72)64-47-34-50(70)60-30-15-13-24-44(52(59)71)63-54(73)46(33-41-35-61-43-23-12-11-21-42(41)43)65-56(75)49-25-14-16-31-68(49)58(77)48(32-37-26-28-39(29-27-37)38-17-7-5-8-18-38)66-57(76)51(67-55(47)74)40-19-9-6-10-20-40/h5,7-8,11-12,17-18,21,23,26-29,35,40,44-49,51,61H,3-4,6,9-10,13-16,19-20,22,24-25,30-34H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,75)(H,66,76)(H,67,74)/t44?,45-,46-,47-,48-,49-,51-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211393
PNG
(Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bic7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](CC2CCC(CC2)C2CCCCC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O)C(N)=O
Show InChI InChI=1S/C59H88N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h9-10,19,21,35,37-40,44-51,62H,3-8,11-18,20,22-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t37?,39?,40?,44?,45-,46-,47-,48-,49?,50-,51+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50211369
PNG
(Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC4R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211393
PNG
(Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bic7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](CC2CCC(CC2)C2CCCCC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O)C(N)=O
Show InChI InChI=1S/C59H88N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h9-10,19,21,35,37-40,44-51,62H,3-8,11-18,20,22-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t37?,39?,40?,44?,45-,46-,47-,48-,49?,50-,51+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211369
PNG
(Ac-Nle4-cyclo(Asp5-Val6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H72N10O9/c1-5-6-19-42(59-34(4)66)50(69)61-44-31-47(67)57-27-14-12-21-41(49(56)68)60-51(70)43(30-38-32-58-40-20-11-10-18-39(38)40)62-53(72)46-22-13-15-28-65(46)55(74)45(63-54(73)48(33(2)3)64-52(44)71)29-35-23-25-37(26-24-35)36-16-8-7-9-17-36/h7-11,16-18,20,23-26,32-33,41-46,48,58H,5-6,12-15,19,21-22,27-31H2,1-4H3,(H2,56,68)(H,57,67)(H,59,66)(H,60,70)(H,61,69)(H,62,72)(H,63,73)(H,64,71)/t41?,42-,43-,44-,45-,46-,48-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50211379
PNG
(Ac-Nle4-cyclo(Asp5-Chg6-D-4,4'-Bip7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)[C@@H](NC1=O)C1CCCCC1)C(N)=O
Show InChI InChI=1S/C58H76N10O9/c1-3-4-22-45(62-36(2)69)53(72)64-47-34-50(70)60-30-15-13-24-44(52(59)71)63-54(73)46(33-41-35-61-43-23-12-11-21-42(41)43)65-56(75)49-25-14-16-31-68(49)58(77)48(32-37-26-28-39(29-27-37)38-17-7-5-8-18-38)66-57(76)51(67-55(47)74)40-19-9-6-10-20-40/h5,7-8,11-12,17-18,21,23,26-29,35,40,44-49,51,61H,3-4,6,9-10,13-16,19-20,22,24-25,30-34H2,1-2H3,(H2,59,71)(H,60,70)(H,62,69)(H,63,73)(H,64,72)(H,65,75)(H,66,76)(H,67,74)/t44?,45-,46-,47-,48-,49-,51-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b expressed in CHO cells


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50001317
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat kidney medullary (AVP-V2a site)


J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
AVPR1A


(RAT)
BDBM50001317
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]arginine vasopressin from rat liver arginine vasopressin 1A (AVP-V1a) site.


J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50001317
PNG
(18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-6-(1H-ind...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C44H60N8O6/c1-4-28(2)38-44(58)52-23-13-11-20-35(52)40(54)47-33(19-10-12-22-45)42(56)50(3)37(25-29-15-6-5-7-16-29)43(57)51-24-14-21-36(51)41(55)48-34(39(53)49-38)26-30-27-46-32-18-9-8-17-31(30)32/h5-9,15-18,27-28,33-38,46H,4,10-14,19-26,45H2,1-3H3,(H,47,54)(H,48,55)(H,49,53)/t28-,33-,34+,35+,36-,37+,38-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.


J Med Chem 35: 3905-18 (1992)


Article DOI: 10.1021/jm00099a019
BindingDB Entry DOI: 10.7270/Q2K64JP2
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(MOUSE)
BDBM50033602
PNG
(CHEMBL359361 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H44N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/t23?,24?,25?,26?,28-,33?,36+/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50033602
PNG
(CHEMBL359361 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)
Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C36H44N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/t23?,24?,25?,26?,28-,33?,36+/m0/s1
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Parke-Davis Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas.


J Med Chem 36: 552-65 (1993)


Article DOI: 10.1021/jm00057a005
BindingDB Entry DOI: 10.7270/Q2JM2B88
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014128
PNG
(6-Amino-2-[3-benzyl-6-(2-methyl-butylamino)-2,5,9-...)
Show SMILES CCC(C)CN[C@@H]1CCC(=O)N([C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(C)C)C(=O)[C@@H](Cc2ccccc2)NC1=O
Show InChI InChI=1S/C41H59N7O5/c1-5-28(4)25-44-33-18-19-37(49)48(41(53)35(47-39(33)51)23-29-13-7-6-8-14-29)36(17-11-12-21-42)40(52)46-34(38(50)43-22-20-27(2)3)24-30-26-45-32-16-10-9-15-31(30)32/h6-10,13-16,26-28,33-36,44-45H,5,11-12,17-25,42H2,1-4H3,(H,43,50)(H,46,52)(H,47,51)/t28?,33-,34+,35-,36+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014121
PNG
(6-Amino-2-(6-amino-3-benzyl-2,5,9-trioxo-[1,4]diaz...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H49N7O5/c1-23(2)17-19-39-34(46)29(21-25-22-40-28-13-7-6-12-26(25)28)41-35(47)31(14-8-9-18-37)43-32(44)16-15-27(38)33(45)42-30(36(43)48)20-24-10-4-3-5-11-24/h3-7,10-13,22-23,27,29-31,40H,8-9,14-21,37-38H2,1-2H3,(H,39,46)(H,41,47)(H,42,45)/t27-,29+,30-,31+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014119
PNG
(6-Amino-2-[3-benzyl-6-(2,2-dimethyl-propylamino)-2...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C41H59N7O5/c1-27(2)20-22-43-37(50)33(24-29-25-44-31-16-10-9-15-30(29)31)46-39(52)35(17-11-12-21-42)48-36(49)19-18-32(45-26-41(3,4)5)38(51)47-34(40(48)53)23-28-13-7-6-8-14-28/h6-10,13-16,25,27,32-35,44-45H,11-12,17-24,26,42H2,1-5H3,(H,43,50)(H,46,52)(H,47,51)/t32-,33+,34-,35+/m1/s1
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n/an/a 63n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014121
PNG
(6-Amino-2-(6-amino-3-benzyl-2,5,9-trioxo-[1,4]diaz...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C36H49N7O5/c1-23(2)17-19-39-34(46)29(21-25-22-40-28-13-7-6-12-26(25)28)41-35(47)31(14-8-9-18-37)43-32(44)16-15-27(38)33(45)42-30(36(43)48)20-24-10-4-3-5-11-24/h3-7,10-13,22-23,27,29-31,40H,8-9,14-21,37-38H2,1-2H3,(H,39,46)(H,41,47)(H,42,45)/t27-,29+,30-,31+/m1/s1
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n/an/a 710n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin


J Med Chem 33: 2552-60 (1990)


Article DOI: 10.1021/jm00171a033
BindingDB Entry DOI: 10.7270/Q2NS0VHH
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at tachykinin receptor 2 in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014143
PNG
(6-Amino-2-(3-benzyl-8,8-dimethyl-2,5,9-trioxo-[1,4...)
Show SMILES CCC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)[C@H](Cc2ccccc2)NC(=O)CCC(C)(C)C1=O
Show InChI InChI=1S/C38H52N6O5/c1-5-25(2)23-41-34(46)30(22-27-24-40-29-16-10-9-15-28(27)29)43-35(47)32(17-11-12-20-39)44-36(48)31(21-26-13-7-6-8-14-26)42-33(45)18-19-38(3,4)37(44)49/h6-10,13-16,24-25,30-32,40H,5,11-12,17-23,39H2,1-4H3,(H,41,46)(H,42,45)(H,43,47)/t25?,30-,31-,32-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014135
PNG
(6-Amino-2-(3-benzyl-6,6-dimethyl-2,5,9-trioxo-[1,4...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCC(C)(C)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C38H52N6O5/c1-25(2)18-21-40-34(46)30(23-27-24-41-29-15-9-8-14-28(27)29)42-35(47)32(16-10-11-20-39)44-33(45)17-19-38(3,4)37(49)43-31(36(44)48)22-26-12-6-5-7-13-26/h5-9,12-15,24-25,30-32,41H,10-11,16-23,39H2,1-4H3,(H,40,46)(H,42,47)(H,43,49)/t30-,31-,32-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50014135
PNG
(6-Amino-2-(3-benzyl-6,6-dimethyl-2,5,9-trioxo-[1,4...)
Show SMILES CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CCC(C)(C)C(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C38H52N6O5/c1-25(2)18-21-40-34(46)30(23-27-24-41-29-15-9-8-14-28(27)29)42-35(47)32(16-10-11-20-39)44-33(45)17-19-38(3,4)37(49)43-31(36(44)48)22-26-12-6-5-7-13-26/h5-9,12-15,24-25,30-32,41H,10-11,16-23,39H2,1-4H3,(H,40,46)(H,42,47)(H,43,49)/t30-,31-,32-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Porcine renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50014133
PNG
(6-Amino-2-(3-benzyl-7-methyl-2,5,9-trioxo-[1,4]dia...)
Show SMILES CC(C)CC(C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC(C)CC(=O)N[C@@H](Cc2ccccc2)C1=O
Show InChI InChI=1S/C39H54N6O5/c1-25(2)18-27(4)23-42-37(48)32(22-29-24-41-31-15-9-8-14-30(29)31)44-38(49)34(16-10-11-17-40)45-36(47)20-26(3)19-35(46)43-33(39(45)50)21-28-12-6-5-7-13-28/h5-9,12-15,24-27,32-34,41H,10-11,16-23,40H2,1-4H3,(H,42,48)(H,43,46)(H,44,49)/t26?,27?,32-,33-,34-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human renin


J Med Chem 33: 2560-8 (1990)


Article DOI: 10.1021/jm00171a034
BindingDB Entry DOI: 10.7270/Q20V8BR8
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a>1.60E+4n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonist activity was measured at neurokinin-2 receptor in the rat colon muscularis mucosae


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50007822
PNG
(2-(2-{2-[2-(4-Amino-butyrylamino)-3-phenyl-propion...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C41H52N8O6/c1-26(2)20-33(40(54)48-32(38(43)52)23-29-24-44-31-17-10-9-16-30(29)31)47-37(51)25-45-39(53)34(21-27-12-5-3-6-13-27)49-41(55)35(46-36(50)18-11-19-42)22-28-14-7-4-8-15-28/h3-10,12-17,24,26,32-35,44H,11,18-23,25,42H2,1-2H3,(H2,43,52)(H,45,53)(H,46,50)(H,47,51)(H,48,54)(H,49,55)/t32-,33-,34-,35-/m0/s1
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n/an/an/an/a 892n/an/an/an/a



Glaxo Group Research Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity at neurokinin-1 (NK-1) receptor in guinea pig ileum longitudinal smooth muscle


J Med Chem 33: 1848-51 (1990)


Article DOI: 10.1021/jm00169a003
BindingDB Entry DOI: 10.7270/Q2668C5C
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50211393
PNG
(Ac-Nle4-cyclo(Asp5-Oic6-D-4,4'-Bic7-Pip8-Trp9-Lys1...)
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]2CCCCN2C(=O)[C@H](CC2CCC(CC2)C2CCCCC2)NC(=O)[C@H]2CC3CCCCC3N2C1=O)C(N)=O
Show InChI InChI=1S/C59H88N10O9/c1-3-4-20-45(63-36(2)70)54(73)66-48-34-52(71)61-29-14-12-22-44(53(60)72)64-55(74)46(32-41-35-62-43-21-10-9-19-42(41)43)65-56(75)50-24-13-15-30-68(50)58(77)47(31-37-25-27-39(28-26-37)38-16-6-5-7-17-38)67-57(76)51-33-40-18-8-11-23-49(40)69(51)59(48)78/h9-10,19,21,35,37-40,44-51,62H,3-8,11-18,20,22-34H2,1-2H3,(H2,60,72)(H,61,71)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)/t37?,39?,40?,44?,45-,46-,47-,48-,49?,50-,51+/m0/s1
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n/an/an/an/a>500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulation


J Med Chem 50: 2520-6 (2007)


Article DOI: 10.1021/jm0614275
BindingDB Entry DOI: 10.7270/Q2JQ10QM
More data for this
Ligand-Target Pair