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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 2'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 2


(Homo sapiens)
BDBM50169442
PNG
((1R,4S,6R)-2-Methyl-2-aza-bicyclo[2.2.2]octane-6-c...)
Show SMILES CN1C[C@H]2CC[C@@H]1[C@@H](C2)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC1)(C1CCCCC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/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
Inhibition concentration (binding affinity) against human melanocortin receptor 2 by displacement of [125I]NDP-alpha-MSH from the human receptors exp...


Citation and Details
More data for this
Ligand-Target Pair
Melanocortin receptor 2


(Mus musculus)
BDBM50119368
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)


Bioorg Med Chem Lett 13: 3793-6 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 2


(Mus musculus)
BDBM50029747
PNG
((4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)


Bioorg Med Chem Lett 13: 3793-6 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 2


(Mus musculus)
BDBM50134486
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cncn2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-35-28)32(42)39-15-13-38(14-16-39)30-8-4-3-7-26(30)20-40-22-34-21-36-40/h1-12,21-22,28-29,35H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)


Bioorg Med Chem Lett 13: 3793-6 (2003)

More data for this
Ligand-Target Pair
Melanocortin receptor 2


(Mus musculus)
BDBM50134488
PNG
((R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic a...)
Show SMILES Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2Cn2cnnc2)cc1
Show InChI InChI=1S/C32H34ClN7O2/c33-27-11-9-23(10-12-27)17-29(37-31(41)28-18-24-5-1-2-6-25(24)19-34-28)32(42)40-15-13-39(14-16-40)30-8-4-3-7-26(30)20-38-21-35-36-22-38/h1-12,21-22,28-29,34H,13-20H2,(H,37,41)/t28-,29-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R)


Bioorg Med Chem Lett 13: 3793-6 (2003)

More data for this
Ligand-Target Pair