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96 similar compounds to monomer 50180778

Compile data set for download or QSAR
Wt: 818.9
BDBM50001444
Wt: 885.0
BDBM50032217
Wt: 1210.3
BDBM50062200
Wt: 1210.3
BDBM50180784
Wt: 839.8
BDBM50042881
Wt: 855.8
BDBM50042895
Wt: 1196.3
BDBM50062162
Wt: 1178.2
BDBM50062164
Wt: 1135.2
BDBM50062165
Wt: 1212.3
BDBM50062166
Wt: 1312.3
BDBM50062167
Wt: 1125.2
BDBM50062169
Wt: 1196.3
BDBM50062170
Wt: 1165.2
BDBM50062171
Wt: 1193.3
BDBM50062174
Displayed 1 to 15 (of 86 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50001444,50032217,50062200,50180784,50042881,50042895,50062162,50062164,50062165,50062166,50062167,50062169,50062170,50062171,50062174   
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
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062162
PNG
(CHEMBL264010 | FVPTDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50062162
PNG
(CHEMBL264010 | FVPTDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [125I-Tyr10] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1


(Homo sapiens (Human))
BDBM50180784
PNG
(CHEMBL2371889 | FV-Hop-TDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C61H83N11O15/c1-34(2)49(58(83)63-33-47(74)71-28-18-26-45(71)56(81)65-42(30-39-21-12-8-13-22-39)54(79)64-36(5)52(77)67-44(61(86)87)31-40-23-14-9-15-24-40)68-55(80)43(32-48(75)76)66-59(84)51(37(6)73)70-57(82)46-25-16-17-27-72(46)60(85)50(35(3)4)69-53(78)41(62)29-38-19-10-7-11-20-38/h7-15,19-24,34-37,41-46,49-51,73H,16-18,25-33,62H2,1-6H3,(H,63,83)(H,64,79)(H,65,81)(H,66,84)(H,67,77)(H,68,80)(H,69,78)(H,70,82)(H,75,76)(H,86,87)/t36-,37+,41-,42-,43-,44-,45-,46-,49-,50-,51-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Displacement of [3H-propionyl-K24] from halphaCGRP expressed in human neuroblastoma SK-N-MC cells


J Med Chem 49: 616-24 (2006)


Article DOI: 10.1021/jm050613s
BindingDB Entry DOI: 10.7270/Q280526H
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062170
PNG
(CHEMBL428655 | FVPTDVG-Acp-FAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NCC1CC1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-32(2)48(68-55(80)43(29-47(74)75)66-58(83)50(35(6)72)70-56(81)45-23-16-24-71(45)59(84)49(33(3)4)69-53(78)41(61)25-36-17-10-7-11-18-36)57(82)63-31-46(73)62-30-39-28-40(39)52(77)65-42(26-37-19-12-8-13-20-37)54(79)64-34(5)51(76)67-44(60(85)86)27-38-21-14-9-15-22-38/h7-15,17-22,32-35,39-45,48-50,72H,16,23-31,61H2,1-6H3,(H,62,73)(H,63,82)(H,64,79)(H,65,77)(H,66,83)(H,67,76)(H,68,80)(H,69,78)(H,70,81)(H,74,75)(H,85,86)/t34-,35+,39?,40?,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062162
PNG
(CHEMBL264010 | FVPTDVGPFAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062164
PNG
(CHEMBL274851 | FVPTDVGPEAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C56H79N11O17/c1-29(2)44(53(80)58-28-41(69)66-23-13-19-39(66)51(78)60-36(21-22-42(70)71)49(76)59-31(5)47(74)62-38(56(83)84)26-34-17-11-8-12-18-34)63-50(77)37(27-43(72)73)61-54(81)46(32(6)68)65-52(79)40-20-14-24-67(40)55(82)45(30(3)4)64-48(75)35(57)25-33-15-9-7-10-16-33/h7-12,15-18,29-32,35-40,44-46,68H,13-14,19-28,57H2,1-6H3,(H,58,80)(H,59,76)(H,60,78)(H,61,81)(H,62,74)(H,63,77)(H,64,75)(H,65,79)(H,70,71)(H,72,73)(H,83,84)/t31-,32+,35-,36-,37-,38-,39-,40-,44-,45-,46-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062166
PNG
(CHEMBL265906 | FVPTDVG-Hyp-FAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C60H81N11O16/c1-32(2)48(67-54(80)42(29-47(75)76)65-58(84)50(35(6)72)69-55(81)44-23-16-24-70(44)59(85)49(33(3)4)68-52(78)40(61)25-36-17-10-7-11-18-36)57(83)62-30-46(74)71-31-39(73)28-45(71)56(82)64-41(26-37-19-12-8-13-20-37)53(79)63-34(5)51(77)66-43(60(86)87)27-38-21-14-9-15-22-38/h7-15,17-22,32-35,39-45,48-50,72-73H,16,23-31,61H2,1-6H3,(H,62,83)(H,63,79)(H,64,82)(H,65,84)(H,66,77)(H,67,80)(H,68,78)(H,69,81)(H,75,76)(H,86,87)/t34-,35+,39+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1
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n/an/a 620n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062174
PNG
(CHEMBL384703 | FVPTNVGSEPF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C56H80N12O17/c1-29(2)44(52(80)59-27-42(72)60-38(28-69)49(77)61-35(20-21-43(73)74)54(82)67-22-12-18-39(67)50(78)63-37(56(84)85)25-33-16-10-7-11-17-33)64-48(76)36(26-41(58)71)62-53(81)46(31(5)70)66-51(79)40-19-13-23-68(40)55(83)45(30(3)4)65-47(75)34(57)24-32-14-8-6-9-15-32/h6-11,14-17,29-31,34-40,44-46,69-70H,12-13,18-28,57H2,1-5H3,(H2,58,71)(H,59,80)(H,60,72)(H,61,77)(H,62,81)(H,63,78)(H,64,76)(H,65,75)(H,66,79)(H,73,74)(H,84,85)/t31-,34+,35+,36+,37+,38+,39+,40+,44+,45+,46+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062169
PNG
(CHEMBL402699 | YVPTNVGSAAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C52H76N12O16/c1-25(2)40(49(76)55-23-39(69)58-36(24-65)47(74)57-27(5)43(70)56-28(6)44(71)60-35(52(79)80)21-30-12-9-8-10-13-30)61-46(73)34(22-38(54)68)59-50(77)42(29(7)66)63-48(75)37-14-11-19-64(37)51(78)41(26(3)4)62-45(72)33(53)20-31-15-17-32(67)18-16-31/h8-10,12-13,15-18,25-29,33-37,40-42,65-67H,11,14,19-24,53H2,1-7H3,(H2,54,68)(H,55,76)(H,56,70)(H,57,74)(H,58,69)(H,59,77)(H,60,71)(H,61,73)(H,62,72)(H,63,75)(H,79,80)/t27-,28-,29+,33-,34-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062167
PNG
(CHEMBL216229 | NFVPTNVGSNTY)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C58H85N15O20/c1-26(2)44(54(88)63-24-43(81)64-38(25-74)52(86)66-35(22-41(61)79)51(85)71-46(28(5)75)56(90)68-37(58(92)93)20-31-14-16-32(77)17-15-31)69-50(84)36(23-42(62)80)67-55(89)47(29(6)76)72-53(87)39-13-10-18-73(39)57(91)45(27(3)4)70-49(83)34(19-30-11-8-7-9-12-30)65-48(82)33(59)21-40(60)78/h7-9,11-12,14-17,26-29,33-39,44-47,74-77H,10,13,18-25,59H2,1-6H3,(H2,60,78)(H2,61,79)(H2,62,80)(H,63,88)(H,64,81)(H,65,82)(H,66,86)(H,67,89)(H,68,90)(H,69,84)(H,70,83)(H,71,85)(H,72,87)(H,92,93)/t28-,29-,33+,34+,35+,36+,37+,38+,39+,44+,45+,46+,47+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062171
PNG
(CHEMBL408025 | FVPTNPGSEAF)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C54H76N12O17/c1-28(2)43(63-46(74)33(55)23-31-13-7-5-8-14-31)53(81)66-22-12-18-39(66)50(78)64-44(30(4)68)51(79)61-35(25-40(56)69)52(80)65-21-11-17-38(65)49(77)57-26-41(70)59-37(27-67)48(76)60-34(19-20-42(71)72)47(75)58-29(3)45(73)62-36(54(82)83)24-32-15-9-6-10-16-32/h5-10,13-16,28-30,33-39,43-44,67-68H,11-12,17-27,55H2,1-4H3,(H2,56,69)(H,57,77)(H,58,75)(H,59,70)(H,60,76)(H,61,79)(H,62,73)(H,63,74)(H,64,78)(H,71,72)(H,82,83)/t29-,30+,33-,34-,35-,36-,37-,38-,39-,43-,44-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062165
PNG
(CHEMBL437079 | FVPTNVGSPAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C54H78N12O15/c1-28(2)42(50(76)57-26-41(70)59-37(27-67)52(78)65-21-13-19-38(65)48(74)58-30(5)45(71)61-36(54(80)81)24-33-17-11-8-12-18-33)62-47(73)35(25-40(56)69)60-51(77)44(31(6)68)64-49(75)39-20-14-22-66(39)53(79)43(29(3)4)63-46(72)34(55)23-32-15-9-7-10-16-32/h7-12,15-18,28-31,34-39,42-44,67-68H,13-14,19-27,55H2,1-6H3,(H2,56,69)(H,57,76)(H,58,74)(H,59,70)(H,60,77)(H,61,71)(H,62,73)(H,63,72)(H,64,75)(H,80,81)/t30-,31+,34-,35-,36-,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50062200
PNG
(CHEMBL2371144 | FVPTDVG-Hop-FAF)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C61H83N11O15/c1-34(2)49(68-55(80)43(32-48(75)76)66-59(84)51(37(6)73)70-57(82)46-26-18-28-72(46)60(85)50(35(3)4)69-53(78)41(62)29-38-19-10-7-11-20-38)58(83)63-33-47(74)71-27-17-16-25-45(71)56(81)65-42(30-39-21-12-8-13-22-39)54(79)64-36(5)52(77)67-44(61(86)87)31-40-23-14-9-15-24-40/h7-15,19-24,34-37,41-46,49-51,73H,16-18,25-33,62H2,1-6H3,(H,63,83)(H,64,79)(H,65,81)(H,66,84)(H,67,77)(H,68,80)(H,69,78)(H,70,82)(H,75,76)(H,86,87)/t36-,37+,41-,42-,43-,44-,45-,46-,49-,50-,51-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



ETH Zürich

Curated by ChEMBL


Assay Description
CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.


J Med Chem 41: 117-23 (1998)


Article DOI: 10.1021/jm970533r
BindingDB Entry DOI: 10.7270/Q2736Q0S
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001444
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN([C@@H](CC(C)C)C(N)=O)C(=O)CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C40H66N8O10/c1-22(2)14-27(20-48(33(51)16-24(5)6)31(36(42)54)15-23(3)4)44-32(50)19-43-40(58)35(25(7)8)47-38(56)29(17-26-12-10-9-11-13-26)45-39(57)30(21-49)46-37(55)28(41)18-34(52)53/h9-13,22-25,27-31,35,49H,14-21,41H2,1-8H3,(H2,42,54)(H,43,58)(H,44,50)(H,45,57)(H,46,55)(H,47,56)(H,52,53)/t27-,28-,29-,30-,31-,35-/m0/s1
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n/an/a 162n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50042881
PNG
(3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H53N7O13/c1-21(2)16-27(44-34(53)22(3)41-36(55)28(43-24(5)48)17-25-12-8-6-9-13-25)38(57)46-29(19-32(49)50)37(56)42-23(4)35(54)45-30(20-33(51)52)39(58)47-31(40(59)60)18-26-14-10-7-11-15-26/h6-15,21-23,27-31H,16-20H2,1-5H3,(H,41,55)(H,42,56)(H,43,48)(H,44,53)(H,45,54)(H,46,57)(H,47,58)(H,49,50)(H,51,52)(H,59,60)/t22-,23-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 35-40


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032217
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H64N6O10/c1-8-29(5)40(45(60)52-37(48(63)64)26-32-19-13-10-14-20-32)54-46(61)41(30(6)9-2)53-44(59)36(27-38(56)57)50-43(58)35(25-28(3)4)51-47(62)42(49-31(7)55)39(33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,28-30,35-37,39-42H,8-9,25-27H2,1-7H3,(H,49,55)(H,50,58)(H,51,62)(H,52,60)(H,53,59)(H,54,61)(H,56,57)(H,63,64)/t29-,30-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Ribonucleoside-diphosphate reductase M1 chain


(Mus musculus)
BDBM50042895
PNG
(3-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H53N7O14/c1-21(2)15-26(44-39(59)31(20-48)47-37(57)27(42-23(4)49)16-24-11-7-5-8-12-24)36(56)45-28(18-32(50)51)35(55)41-22(3)34(54)43-29(19-33(52)53)38(58)46-30(40(60)61)17-25-13-9-6-10-14-25/h5-14,21-22,26-31,48H,15-20H2,1-4H3,(H,41,55)(H,42,49)(H,43,54)(H,44,59)(H,45,56)(H,46,58)(H,47,57)(H,50,51)(H,52,53)(H,60,61)/t22-,26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against mammalian ribonucleotide reductase; Range is 40-42


J Med Chem 36: 3859-62 (1994)


Article DOI: 10.1021/jm00076a015
BindingDB Entry DOI: 10.7270/Q2V40VTV
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032217
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H64N6O10/c1-8-29(5)40(45(60)52-37(48(63)64)26-32-19-13-10-14-20-32)54-46(61)41(30(6)9-2)53-44(59)36(27-38(56)57)50-43(58)35(25-28(3)4)51-47(62)42(49-31(7)55)39(33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,28-30,35-37,39-42H,8-9,25-27H2,1-7H3,(H,49,55)(H,50,58)(H,51,62)(H,52,60)(H,53,59)(H,54,61)(H,56,57)(H,63,64)/t29-,30-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032217
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C48H64N6O10/c1-8-29(5)40(45(60)52-37(48(63)64)26-32-19-13-10-14-20-32)54-46(61)41(30(6)9-2)53-44(59)36(27-38(56)57)50-43(58)35(25-28(3)4)51-47(62)42(49-31(7)55)39(33-21-15-11-16-22-33)34-23-17-12-18-24-34/h10-24,28-30,35-37,39-42H,8-9,25-27H2,1-7H3,(H,49,55)(H,50,58)(H,51,62)(H,52,60)(H,53,59)(H,54,61)(H,56,57)(H,63,64)/t29-,30-,35-,36-,37-,40-,41-,42-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair