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45 similar compounds to monomer 50098600

Compile data set for download or QSAR
Wt: 568.7
BDBM50024351
Wt: 581.6
BDBM50024349
Wt: 298.3
BDBM50024352
Wt: 538.7
BDBM50023378
Wt: 457.8
BDBM50024359
Wt: 458.8
BDBM50024360
Wt: 453.4
BDBM50024361
Wt: 498.3
BDBM50024362
Wt: 513.9
BDBM50024364
Wt: 513.9
BDBM50024365
Wt: 548.3
BDBM50024368
Wt: 430.2
BDBM50024370
Wt: 478.9
BDBM50024371
Wt: 435.8
BDBM50024353
Wt: 519.9
BDBM50024358
Displayed 1 to 15 (of 45 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50024351,50024349,50024352,50023378,50024359,50024360,50024361,50024362,50024364,50024365,50024368,50024370,50024371,50024353,50024358   
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50023378
PNG
(CHEMBL3329804)
Show SMILES CCCCS(=O)(=O)Nc1ccc(CN2CCC(CNC(=O)c3c4OCCCn4c4ccccc34)CC2)cc1
Show InChI InChI=1S/C29H38N4O4S/c1-2-3-19-38(35,36)31-24-11-9-23(10-12-24)21-32-16-13-22(14-17-32)20-30-28(34)27-25-7-4-5-8-26(25)33-15-6-18-37-29(27)33/h4-5,7-12,22,31H,2-3,6,13-21H2,1H3,(H,30,34)
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1n/an/an/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from human 5HT4b receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 24: 4598-602 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.083
BindingDB Entry DOI: 10.7270/Q28W3FW7
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50024349
PNG
(CHEMBL2113035)
Show SMILES NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)C1(CNCc2nccs2)CCCCC1
Show InChI InChI=1S/C27H38Cl2N6O2S/c28-21-5-4-20(22(29)17-21)16-23(33-24(36)6-9-30)26(37)34-11-13-35(14-12-34)27(7-2-1-3-8-27)19-31-18-25-32-10-15-38-25/h4-5,10,15,17,23,31H,1-3,6-9,11-14,16,18-19,30H2,(H,33,36)/t23-/m1/s1
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49n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Inhibition of [125I]NDP-MSH (radioligand) binding to the hMC4R stably expressed in HEK293 cells


Bioorg Med Chem Lett 15: 3434-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.017
BindingDB Entry DOI: 10.7270/Q2PG1R8Q
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/a 620n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 3 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...


Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) exhibited against human melanocortin receptor 4 by radio labeled ligand assay (Displacement of [125I]-NDP...


Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50024352
PNG
(CHEMBL183857)
Show SMILES CCCn1cnc2c(O)nc(nc12)-c1ccccc1OCC
Show InChI InChI=1S/C16H18N4O2/c1-3-9-20-10-17-13-15(20)18-14(19-16(13)21)11-7-5-6-8-12(11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,21)
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n/an/a 10n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.090
BindingDB Entry DOI: 10.7270/Q2XS5TWD
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024353
PNG
(CHEMBL3330445)
Show SMILES CN(C(C)=O)c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O
Show InChI InChI=1S/C19H18ClN3O5S/c1-10(24)22(2)11-3-4-12-14(7-11)27-9-13-15(28-19(26)23(12)13)8-21-18(25)16-5-6-17(20)29-16/h3-7,13,15H,8-9H2,1-2H3,(H,21,25)/t13-,15-/m0/s1
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n/an/a 87n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024358
PNG
(CHEMBL3330462)
Show SMILES NS(=O)(=O)c1ccccc1-c1ccc2N3[C@@H](COc2c1)[C@H](CNC(=O)c1ccc(Cl)s1)OC3=O
Show InChI InChI=1S/C22H18ClN3O6S2/c23-20-8-7-18(33-20)21(27)25-10-17-15-11-31-16-9-12(5-6-14(16)26(15)22(28)32-17)13-3-1-2-4-19(13)34(24,29)30/h1-9,15,17H,10-11H2,(H,25,27)(H2,24,29,30)/t15-,17-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024359
PNG
(CHEMBL3330463)
Show SMILES Clc1ccc(cc1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C22H20ClN3O6/c23-14-3-1-13(2-4-14)21(28)24-10-19-17-11-31-18-9-15(25-7-8-30-12-20(25)27)5-6-16(18)26(17)22(29)32-19/h1-6,9,17,19H,7-8,10-12H2,(H,24,28)/t17-,19-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024360
PNG
(CHEMBL3330464)
Show SMILES Clc1ccc(nc1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C21H19ClN4O6/c22-12-1-3-14(23-8-12)20(28)24-9-18-16-10-31-17-7-13(25-5-6-30-11-19(25)27)2-4-15(17)26(16)21(29)32-18/h1-4,7-8,16,18H,5-6,9-11H2,(H,24,28)/t16-,18-/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024361
PNG
(CHEMBL3330465)
Show SMILES COc1ccc(cc1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C23H23N3O7/c1-30-16-5-2-14(3-6-16)22(28)24-11-20-18-12-32-19-10-15(25-8-9-31-13-21(25)27)4-7-17(19)26(18)23(29)33-20/h2-7,10,18,20H,8-9,11-13H2,1H3,(H,24,28)/t18-,20-/m0/s1
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n/an/a 4.78E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024362
PNG
(CHEMBL3330466)
Show SMILES Clc1cc(sc1Cl)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C20H17Cl2N3O6S/c21-11-6-16(32-18(11)22)19(27)23-7-15-13-8-30-14-5-10(24-3-4-29-9-17(24)26)1-2-12(14)25(13)20(28)31-15/h1-2,5-6,13,15H,3-4,7-9H2,(H,23,27)/t13-,15-/m0/s1
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n/an/a 8.08E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024364
PNG
(CHEMBL3330468)
Show SMILES Clc1cccc2cc(sc12)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C24H20ClN3O6S/c25-15-3-1-2-13-8-20(35-22(13)15)23(30)26-10-19-17-11-33-18-9-14(27-6-7-32-12-21(27)29)4-5-16(18)28(17)24(31)34-19/h1-5,8-9,17,19H,6-7,10-12H2,(H,26,30)/t17-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024365
PNG
(CHEMBL3330469)
Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C24H20ClN3O6S/c25-14-2-1-13-7-21(35-20(13)8-14)23(30)26-10-19-17-11-33-18-9-15(27-5-6-32-12-22(27)29)3-4-16(18)28(17)24(31)34-19/h1-4,7-9,17,19H,5-6,10-12H2,(H,26,30)/t17-,19-/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024368
PNG
(CHEMBL3330472)
Show SMILES Clc1c(sc2cc(Cl)ccc12)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C24H19Cl2N3O6S/c25-12-1-3-14-19(7-12)36-22(21(14)26)23(31)27-9-18-16-10-34-17-8-13(28-5-6-33-11-20(28)30)2-4-15(17)29(16)24(32)35-18/h1-4,7-8,16,18H,5-6,9-11H2,(H,27,31)/t16-,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024370
PNG
(CHEMBL3330474)
Show SMILES ClC(Cl)C(=O)NC[C@@H]1OC(=O)N2[C@H]1COc1cc(ccc21)N1CCOCC1=O
Show InChI InChI=1S/C17H17Cl2N3O6/c18-15(19)16(24)20-6-13-11-7-27-12-5-9(21-3-4-26-8-14(21)23)1-2-10(12)22(11)17(25)28-13/h1-2,5,11,13,15H,3-4,6-8H2,(H,20,24)/t11-,13-/m0/s1
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n/an/a 5.27E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 5 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...


Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50024371
PNG
(CHEMBL3330475)
Show SMILES Clc1ccc(NC(=O)NC[C@@H]2OC(=O)N3[C@H]2COc2cc(ccc32)N2CCOCC2=O)s1
Show InChI InChI=1S/C20H19ClN4O6S/c21-16-3-4-17(32-16)23-19(27)22-8-15-13-9-30-14-7-11(24-5-6-29-10-18(24)26)1-2-12(14)25(13)20(28)31-15/h1-4,7,13,15H,5-6,8-10H2,(H2,22,23,27)/t13-,15-/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate


J Med Chem 57: 7770-91 (2014)


Article DOI: 10.1021/jm501045e
BindingDB Entry DOI: 10.7270/Q228095Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50024351
PNG
(CHEMBL2113031)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1NC2)C1CCCCC1
Show InChI InChI=1S/C33H49FN4O3/c1-32(2,3)37-31(41)33(24-7-5-4-6-8-24)15-17-38(18-16-33)30(40)28(20-22-9-12-25(34)13-10-22)36-29(39)26-19-23-11-14-27(26)35-21-23/h9-10,12-13,23-24,26-28,35H,4-8,11,14-21H2,1-3H3,(H,36,39)(H,37,41)/t23-,26-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition concentration (binding affinity) against human melanocortin receptor 4 by displacement of [125I]-NDP-alpha-MSH from the human receptors ex...


Bioorg Med Chem Lett 15: 3501-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.109
BindingDB Entry DOI: 10.7270/Q2Q81CKF
More data for this
Ligand-Target Pair