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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'scrima' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
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
CAMK2A


(Homo sapiens (Human))
BDBM50430016
PNG
(CHEMBL2335444)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C197H335N67O41S2/c1-17-109(11)156(184(297)233-104-153(272)235-123(64-43-86-223-193(212)213)164(277)234-113(15)160(273)238-124(58-29-36-79-199)165(278)243-132(67-46-89-226-196(218)219)174(287)257-154(107(7)8)185(298)258-155(108(9)10)186(299)262-159(191(304)305)112(14)20-4)259-176(289)133(71-74-146(206)265)236-152(271)103-232-163(276)138(94-106(5)6)252-171(284)128(62-33-40-83-203)249-183(296)144-69-48-91-263(144)190(303)145-70-49-92-264(145)189(302)137(68-47-90-227-197(220)221)251-169(282)126(60-31-38-81-201)246-182(295)143(105-306)237-151(270)102-230-150(269)101-231-162(275)122(57-28-35-78-198)240-166(279)125(59-30-37-80-200)244-179(292)140(96-115-99-228-120-55-26-24-52-117(115)120)254-170(283)127(61-32-39-82-202)241-173(286)136(77-93-307-16)248-168(281)130(65-44-87-224-194(214)215)242-167(280)131(66-45-88-225-195(216)217)245-181(294)142(98-149(209)268)255-172(285)134(72-75-147(207)266)247-178(291)139(95-114-50-22-21-23-51-114)253-180(293)141(97-116-100-229-121-56-27-25-53-118(116)121)256-188(301)158(111(13)19-3)260-175(288)129(63-34-41-84-204)250-187(300)157(110(12)18-2)261-177(290)135(73-76-148(208)267)239-161(274)119(205)54-42-85-222-192(210)211/h21-27,50-53,55-56,99-100,106-113,119,122-145,154-159,228-229,306H,17-20,28-49,54,57-98,101-105,198-205H2,1-16H3,(H2,206,265)(H2,207,266)(H2,208,267)(H2,209,268)(H,230,269)(H,231,275)(H,232,276)(H,233,297)(H,234,277)(H,235,272)(H,236,271)(H,237,270)(H,238,273)(H,239,274)(H,240,279)(H,241,286)(H,242,280)(H,243,278)(H,244,292)(H,245,294)(H,246,295)(H,247,291)(H,248,281)(H,249,296)(H,250,300)(H,251,282)(H,252,284)(H,253,293)(H,254,283)(H,255,285)(H,256,301)(H,257,287)(H,258,298)(H,259,289)(H,260,288)(H,261,290)(H,262,299)(H,304,305)(H4,210,211,222)(H4,212,213,223)(H4,214,215,224)(H4,216,217,225)(H4,218,219,226)(H4,220,221,227)/t109-,110-,111-,112-,113-,119-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,154-,155-,156-,157-,158-,159-/m0/s1
PDB
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n/an/a 30n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ...


Eur J Med Chem 62: 425-34 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.053
BindingDB Entry DOI: 10.7270/Q2NV9KK6
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens (Human))
BDBM50430015
PNG
(CHEMBL2335442)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6])-[#6]-[#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C157H289N65O34S/c1-12-86(9)119(141(248)195-81-116(227)197-90(43-25-67-186-150(169)170)124(231)196-88(11)121(228)199-91(38-14-19-61-158)125(232)206-100(48-30-72-191-155(179)180)136(243)215-117(84(5)6)142(249)216-118(85(7)8)143(250)218-120(148(255)256)87(10)13-2)217-137(244)101(55-58-112(164)223)198-115(226)80-194-123(230)106(79-83(3)4)213-133(240)95(42-18-23-65-162)209-139(246)108-51-33-75-219(108)146(253)110-53-35-77-221(110)144(251)104(49-31-73-192-156(181)182)211-131(238)94(41-17-22-64-161)207-138(245)107(82-257)214-135(242)103(57-60-114(166)225)210-140(247)109-52-34-76-220(109)147(254)111-54-36-78-222(111)145(252)105(50-32-74-193-157(183)184)212-132(239)99(47-29-71-190-154(177)178)204-129(236)97(45-27-69-188-152(173)174)205-134(241)102(56-59-113(165)224)208-130(237)98(46-28-70-189-153(175)176)203-128(235)96(44-26-68-187-151(171)172)202-127(234)93(40-16-21-63-160)201-126(233)92(39-15-20-62-159)200-122(229)89(163)37-24-66-185-149(167)168/h83-111,117-120,257H,12-82,158-163H2,1-11H3,(H2,164,223)(H2,165,224)(H2,166,225)(H,194,230)(H,195,248)(H,196,231)(H,197,227)(H,198,226)(H,199,228)(H,200,229)(H,201,233)(H,202,234)(H,203,235)(H,204,236)(H,205,241)(H,206,232)(H,207,245)(H,208,237)(H,209,246)(H,210,247)(H,211,238)(H,212,239)(H,213,240)(H,214,242)(H,215,243)(H,216,249)(H,217,244)(H,218,250)(H,255,256)(H4,167,168,185)(H4,169,170,186)(H4,171,172,187)(H4,173,174,188)(H4,175,176,189)(H4,177,178,190)(H4,179,180,191)(H4,181,182,192)(H4,183,184,193)/t86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,117-,118-,119-,120-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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n/an/a 40n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ...


Eur J Med Chem 62: 425-34 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.053
BindingDB Entry DOI: 10.7270/Q2NV9KK6
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens (Human))
BDBM50430014
PNG
(CHEMBL2335479)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C136H240N44O39/c1-18-72(14)105(176-117(203)82(45-47-94(142)181)159-95(182)65-155-110(196)86(59-67(4)5)167-113(199)79(37-23-27-51-139)163-123(209)92-43-33-57-179(92)131(217)93-44-34-58-180(93)130(216)84(42-32-56-154-136(149)150)165-109(195)76(141)35-21-25-49-137)124(210)156-66-96(183)158-77(39-29-53-151-133(143)144)111(197)157-75(17)108(194)160-78(36-22-26-50-138)112(198)161-80(40-30-54-152-134(145)146)115(201)173-103(70(10)11)126(212)175-104(71(12)13)127(213)178-107(74(16)20-3)128(214)164-83(46-48-97(184)185)114(200)168-89(62-99(188)189)120(206)169-88(61-98(186)187)119(205)162-81(41-31-55-153-135(147)148)116(202)177-106(73(15)19-2)129(215)172-90(63-100(190)191)121(207)170-91(64-101(192)193)122(208)174-102(69(8)9)125(211)171-87(60-68(6)7)118(204)166-85(132(218)219)38-24-28-52-140/h67-93,102-107H,18-66,137-141H2,1-17H3,(H2,142,181)(H,155,196)(H,156,210)(H,157,197)(H,158,183)(H,159,182)(H,160,194)(H,161,198)(H,162,205)(H,163,209)(H,164,214)(H,165,195)(H,166,204)(H,167,199)(H,168,200)(H,169,206)(H,170,207)(H,171,211)(H,172,215)(H,173,201)(H,174,208)(H,175,212)(H,176,203)(H,177,202)(H,178,213)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,218,219)(H4,143,144,151)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,102-,103-,104-,105-,106-,107-/m0/s1
PDB
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n/an/a 50n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length CAMK2alpha (unknown origin) using autocamtide-2 as substrate assessed as incorporation of 32P after 30 mins by ...


Eur J Med Chem 62: 425-34 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.053
BindingDB Entry DOI: 10.7270/Q2NV9KK6
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/s2
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n/an/an/a 1.21E+6n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H14-H15 of isopent...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/s2
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n/an/an/a 5.50E+5n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H11 of isopentenyl...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/s2
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n/an/an/a 2.21E+6n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H12 of isopentenyl...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50024797
PNG
(CHEBI:60283 | CHEMBL1163500 | N6-Isopentenyladenos...)
Show SMILES CC(=C)CCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h6-7,9,11-12,15,21-23H,1,3-5H2,2H3,(H,16,17,18)/t9-,11-,12-,15-/s2
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n/an/an/a 2.02E+6n/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to FPPS (unknown origin) expressed in Escherichia coli BL21(DEscherichia ) assessed as binding constant of proton H2/H8 of purine ri...


J Med Chem 57: 7798-803 (2014)


Article DOI: 10.1021/jm500869x
BindingDB Entry DOI: 10.7270/Q25140SB
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
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n/an/an/an/a 0.190n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031469
PNG
(CHEMBL3358552)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C50H67N17O8/c1-3-4-14-37(58-29(2)68)44(70)61-39-19-21-67-27-32(65-66-67)17-18-36(43(51)69)59-48(74)41(23-31-25-56-35-15-9-8-13-34(31)35)63-45(71)38(16-10-20-55-50(52)53)60-47(73)40(22-30-11-6-5-7-12-30)62-49(75)42(64-46(39)72)24-33-26-54-28-57-33/h5-9,11-13,15,25-28,36-42,56H,3-4,10,14,16-24H2,1-2H3,(H2,51,69)(H,54,57)(H,58,68)(H,59,74)(H,60,73)(H,61,70)(H,62,75)(H,63,71)(H,64,72)(H4,52,53,55)/t36-,37-,38-,39-,40+,41-,42-/s2
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n/an/an/an/a 0.0700n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031470
PNG
(CHEMBL3358551)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C50H67N17O8/c1-3-4-14-37(58-29(2)68)44(70)61-39-18-17-32-27-67(66-65-32)21-19-36(43(51)69)59-48(74)41(23-31-25-56-35-15-9-8-13-34(31)35)63-45(71)38(16-10-20-55-50(52)53)60-47(73)40(22-30-11-6-5-7-12-30)62-49(75)42(64-46(39)72)24-33-26-54-28-57-33/h5-9,11-13,15,25-28,36-42,56H,3-4,10,14,16-24H2,1-2H3,(H2,51,69)(H,54,57)(H,58,68)(H,59,74)(H,60,73)(H,61,70)(H,62,75)(H,63,71)(H,64,72)(H4,52,53,55)/t36-,37-,38-,39-,40+,41-,42-/s2
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n/an/an/an/a 0.150n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031471
PNG
(CHEMBL3358550)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-17-38(59-30(2)69)45(71)65-43-28-68-27-33(66-67-68)15-8-10-19-37(44(52)70)60-48(74)41(23-32-25-57-36-18-11-9-16-35(32)36)63-46(72)39(20-12-21-56-51(53)54)61-47(73)40(22-31-13-6-5-7-14-31)62-49(75)42(64-50(43)76)24-34-26-55-29-58-34/h5-7,9,11,13-14,16,18,25-27,29,37-43,57H,3-4,8,10,12,15,17,19-24,28H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,74)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,71)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/s2
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University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031473
PNG
(CHEMBL3358549)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)62-40-20-22-68-28-33(66-67-68)14-10-18-37(44(52)70)60-49(75)42(24-32-26-57-36-17-9-8-15-35(32)36)64-46(72)39(19-11-21-56-51(53)54)61-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-13,15,17,26-29,37-43,57H,3-4,10-11,14,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,74)(H,62,71)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.0450n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031476
PNG
(CHEMBL3358548)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-15-38(59-30(2)69)45(71)61-40-18-11-22-68-28-33(66-67-68)19-20-37(44(52)70)60-49(75)42(24-32-26-57-36-16-9-8-14-35(32)36)64-46(72)39(17-10-21-56-51(53)54)62-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-14,16,26-29,37-43,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,71)(H,62,74)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 1.90n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031477
PNG
(CHEMBL3358547)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-37(59-30(2)69)45(71)60-38-18-10-11-21-68-28-34(66-67-68)25-40(44(52)70)62-49(75)42(23-32-26-57-36-17-9-8-15-35(32)36)64-47(73)39(19-12-20-56-51(53)54)61-48(74)41(22-31-13-6-5-7-14-31)63-50(76)43(65-46(38)72)24-33-27-55-29-58-33/h5-9,13-15,17,26-29,37-43,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,71)(H,61,74)(H,62,75)(H,63,76)(H,64,73)(H,65,72)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 1.80n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031478
PNG
(CHEMBL3358546)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-17-37(59-30(2)69)45(71)60-38-19-10-8-15-33-27-68(67-66-33)28-43(44(52)70)65-49(75)41(23-32-25-57-36-18-11-9-16-35(32)36)63-47(73)39(20-12-21-56-51(53)54)61-48(74)40(22-31-13-6-5-7-14-31)62-50(76)42(64-46(38)72)24-34-26-55-29-58-34/h5-7,9,11,13-14,16,18,25-27,29,37-43,57H,3-4,8,10,12,15,17,19-24,28H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.130n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031479
PNG
(CHEMBL3358545)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)61-39-18-10-14-33-28-68(67-66-33)22-20-37(44(52)70)60-49(75)42(24-32-26-57-36-17-9-8-15-35(32)36)64-47(73)40(19-11-21-56-51(53)54)62-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-46(39)72)25-34-27-55-29-58-34/h5-9,12-13,15,17,26-29,37-43,57H,3-4,10-11,14,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,71)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.0420n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031486
PNG
(CHEMBL3358544)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-15-38(59-30(2)69)45(71)62-40-20-19-33-28-68(67-66-33)22-11-18-37(44(52)70)60-49(75)42(24-32-26-57-36-16-9-8-14-35(32)36)64-46(72)39(17-10-21-56-51(53)54)61-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-14,16,26-29,37-43,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,74)(H,62,71)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.340n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031487
PNG
(CHEMBL3358543)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)64-43-25-34-28-68(67-66-34)21-11-10-18-37(44(52)70)60-48(74)41(23-32-26-57-36-17-9-8-15-35(32)36)63-46(72)39(19-12-20-56-51(53)54)61-47(73)40(22-31-13-6-5-7-14-31)62-49(75)42(65-50(43)76)24-33-27-55-29-58-33/h5-9,13-15,17,26-29,37-43,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,74)(H,61,73)(H,62,75)(H,63,72)(H,64,71)(H,65,76)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 1.90n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031488
PNG
(CHEMBL3358541)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
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n/an/an/an/a 0.0510n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031489
PNG
(CHEMBL3352878)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)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)N[C@@H](CCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-37(60-30(3)68)44(70)62-38(18-7-5-2)45(71)66-42(26-33-28-55-29-58-33)49(75)64-40(24-31-14-9-8-10-15-31)47(73)63-39(20-13-22-56-50(52)53)46(72)65-41(25-32-27-57-35-19-12-11-16-34(32)35)48(74)61-36(43(51)69)21-23-59-67-54/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H,64,75)(H,65,72)(H,66,71)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
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n/an/an/an/a 0.230n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031490
PNG
(CHEMBL3358540)
Show SMILES CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-8-12-21-37(44(52)70)62-48(74)41(25-33-27-58-36-20-14-13-18-35(33)36)65-46(72)39(22-15-23-57-51(53)54)63-47(73)40(24-32-16-10-9-11-17-32)64-49(75)42(26-34-28-56-30-59-34)66-50(76)43(29-60-68-55)67-45(71)38(19-7-5-2)61-31(3)69/h9-11,13-14,16-18,20,27-28,30,37-43,58H,4-8,12,15,19,21-26,29H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,74)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,71)(H4,53,54,57)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.130n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031492
PNG
(CHEMBL3358539)
Show SMILES CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-9-20-37(44(52)70)62-49(75)42(26-33-28-58-36-19-13-12-17-35(33)36)66-46(72)39(21-14-23-57-51(53)54)63-48(74)41(25-32-15-10-8-11-16-32)65-50(76)43(27-34-29-56-30-59-34)67-47(73)40(22-24-60-68-55)64-45(71)38(18-7-5-2)61-31(3)69/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,74)(H,64,71)(H,65,76)(H,66,72)(H,67,73)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.0860n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031493
PNG
(CHEMBL3358538)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-18-37(44(52)70)62-49(75)42(26-33-28-58-36-20-12-11-17-35(33)36)66-46(72)39(21-13-23-57-51(53)54)64-48(74)41(25-32-15-9-8-10-16-32)65-50(76)43(27-34-29-56-30-59-34)67-47(73)40(22-14-24-60-68-55)63-45(71)38(19-7-5-2)61-31(3)69/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 5n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031494
PNG
(CHEMBL3358537)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN=[N+]=[N-])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)N[C@@H](CC#C)C(N)=O |r|
Show InChI InChI=1/C51H69N17O8/c1-4-6-19-38(61-31(3)69)45(71)63-39(21-12-13-24-60-68-55)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-16-8-7-9-17-32)48(74)64-40(22-14-23-57-51(53)54)47(73)66-42(49(75)62-37(15-5-2)44(52)70)26-33-28-58-36-20-11-10-18-35(33)36/h2,7-11,16-18,20,28-30,37-43,58H,4,6,12-15,19,21-27H2,1,3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 1.90n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031495
PNG
(CHEMBL3358536)
Show SMILES CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=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)N[C@@H](CN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-8-12-21-38(62-45(71)37(19-7-5-2)61-31(3)69)46(72)66-42(26-34-28-56-30-59-34)50(76)64-40(24-32-16-10-9-11-17-32)48(74)63-39(22-15-23-57-51(53)54)47(73)65-41(49(75)67-43(44(52)70)29-60-68-55)25-33-27-58-36-20-14-13-18-35(33)36/h9-11,13-14,16-18,20,27-28,30,37-43,58H,4-8,12,15,19,21-26,29H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,71)(H,63,74)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,53,54,57)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.180n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031496
PNG
(CHEMBL3358535)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=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)N[C@@H](CCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-9-20-39(63-45(71)38(18-7-5-2)61-31(3)69)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-10-8-11-16-32)48(74)64-40(21-14-23-57-51(53)54)47(73)66-42(26-33-28-58-36-19-13-12-17-35(33)36)49(75)62-37(44(52)70)22-24-60-68-55/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.130n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031497
PNG
(CHEMBL3358534)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)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)N[C@@H](CCCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-18-38(61-31(3)69)45(71)63-39(19-7-5-2)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-9-8-10-16-32)48(74)64-40(22-13-23-57-51(53)54)47(73)66-42(26-33-28-58-36-20-12-11-17-35(33)36)49(75)62-37(44(52)70)21-14-24-60-68-55/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 5.30n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))
BDBM50031498
PNG
(CHEMBL3358533)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC#C)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)N[C@@H](CCCCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C51H69N17O8/c1-4-6-19-39(61-31(3)69)46(72)63-38(15-5-2)45(71)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-16-8-7-9-17-32)48(74)64-40(22-14-23-57-51(53)54)47(73)66-42(26-33-28-58-36-20-11-10-18-35(33)36)49(75)62-37(44(52)70)21-12-13-24-60-68-55/h2,7-11,16-18,20,28-30,37-43,58H,4,6,12-15,19,21-27H2,1,3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,72)(H,64,74)(H,65,76)(H,66,73)(H,67,71)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 3.20n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50027084
PNG
(MELATONAN | Melatonan)
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](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |r|
Show InChI InChI=1/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/s2
KEGG

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n/an/an/an/a 0.0600n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031469
PNG
(CHEMBL3358552)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C50H67N17O8/c1-3-4-14-37(58-29(2)68)44(70)61-39-19-21-67-27-32(65-66-67)17-18-36(43(51)69)59-48(74)41(23-31-25-56-35-15-9-8-13-34(31)35)63-45(71)38(16-10-20-55-50(52)53)60-47(73)40(22-30-11-6-5-7-12-30)62-49(75)42(64-46(39)72)24-33-26-54-28-57-33/h5-9,11-13,15,25-28,36-42,56H,3-4,10,14,16-24H2,1-2H3,(H2,51,69)(H,54,57)(H,58,68)(H,59,74)(H,60,73)(H,61,70)(H,62,75)(H,63,71)(H,64,72)(H4,52,53,55)/t36-,37-,38-,39-,40+,41-,42-/s2
KEGG

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n/an/an/an/a 0.0670n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031470
PNG
(CHEMBL3358551)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C50H67N17O8/c1-3-4-14-37(58-29(2)68)44(70)61-39-18-17-32-27-67(66-65-32)21-19-36(43(51)69)59-48(74)41(23-31-25-56-35-15-9-8-13-34(31)35)63-45(71)38(16-10-20-55-50(52)53)60-47(73)40(22-30-11-6-5-7-12-30)62-49(75)42(64-46(39)72)24-33-26-54-28-57-33/h5-9,11-13,15,25-28,36-42,56H,3-4,10,14,16-24H2,1-2H3,(H2,51,69)(H,54,57)(H,58,68)(H,59,74)(H,60,73)(H,61,70)(H,62,75)(H,63,71)(H,64,72)(H4,52,53,55)/t36-,37-,38-,39-,40+,41-,42-/s2
KEGG

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n/an/an/an/a 0.140n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031471
PNG
(CHEMBL3358550)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cn2cc(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-17-38(59-30(2)69)45(71)65-43-28-68-27-33(66-67-68)15-8-10-19-37(44(52)70)60-48(74)41(23-32-25-57-36-18-11-9-16-35(32)36)63-46(72)39(20-12-21-56-51(53)54)61-47(73)40(22-31-13-6-5-7-14-31)62-49(75)42(64-50(43)76)24-34-26-55-29-58-34/h5-7,9,11,13-14,16,18,25-27,29,37-43,57H,3-4,8,10,12,15,17,19-24,28H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,74)(H,61,73)(H,62,75)(H,63,72)(H,64,76)(H,65,71)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.140n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031473
PNG
(CHEMBL3358549)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCn2cc(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)62-40-20-22-68-28-33(66-67-68)14-10-18-37(44(52)70)60-49(75)42(24-32-26-57-36-17-9-8-15-35(32)36)64-46(72)39(19-11-21-56-51(53)54)61-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-13,15,17,26-29,37-43,57H,3-4,10-11,14,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,74)(H,62,71)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.0480n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031476
PNG
(CHEMBL3358548)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCn2cc(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-15-38(59-30(2)69)45(71)61-40-18-11-22-68-28-33(66-67-68)19-20-37(44(52)70)60-49(75)42(24-32-26-57-36-16-9-8-14-35(32)36)64-46(72)39(17-10-21-56-51(53)54)62-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-14,16,26-29,37-43,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,71)(H,62,74)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.850n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031477
PNG
(CHEMBL3358547)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-37(59-30(2)69)45(71)60-38-18-10-11-21-68-28-34(66-67-68)25-40(44(52)70)62-49(75)42(23-32-26-57-36-17-9-8-15-35(32)36)64-47(73)39(19-12-20-56-51(53)54)61-48(74)41(22-31-13-6-5-7-14-31)63-50(76)43(65-46(38)72)24-33-27-55-29-58-33/h5-9,13-15,17,26-29,37-43,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,71)(H,61,74)(H,62,75)(H,63,76)(H,64,73)(H,65,72)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.580n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031478
PNG
(CHEMBL3358546)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCCc2cn(C[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-17-37(59-30(2)69)45(71)60-38-19-10-8-15-33-27-68(67-66-33)28-43(44(52)70)65-49(75)41(23-32-25-57-36-18-11-9-16-35(32)36)63-47(73)39(20-12-21-56-51(53)54)61-48(74)40(22-31-13-6-5-7-14-31)62-50(76)42(64-46(38)72)24-34-26-55-29-58-34/h5-7,9,11,13-14,16,18,25-27,29,37-43,57H,3-4,8,10,12,15,17,19-24,28H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,71)(H,61,74)(H,62,76)(H,63,73)(H,64,72)(H,65,75)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.140n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031479
PNG
(CHEMBL3358545)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCCc2cn(CC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)61-39-18-10-14-33-28-68(67-66-33)22-20-37(44(52)70)60-49(75)42(24-32-26-57-36-17-9-8-15-35(32)36)64-47(73)40(19-11-21-56-51(53)54)62-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-46(39)72)25-34-27-55-29-58-34/h5-9,12-13,15,17,26-29,37-43,57H,3-4,10-11,14,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,71)(H,62,74)(H,63,76)(H,64,73)(H,65,72)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.0510n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031486
PNG
(CHEMBL3358544)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cn(CCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-15-38(59-30(2)69)45(71)62-40-20-19-33-28-68(67-66-33)22-11-18-37(44(52)70)60-49(75)42(24-32-26-57-36-16-9-8-14-35(32)36)64-46(72)39(17-10-21-56-51(53)54)61-48(74)41(23-31-12-6-5-7-13-31)63-50(76)43(65-47(40)73)25-34-27-55-29-58-34/h5-9,12-14,16,26-29,37-43,57H,3-4,10-11,15,17-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,75)(H,61,74)(H,62,71)(H,63,76)(H,64,72)(H,65,73)(H4,53,54,56)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.220n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031487
PNG
(CHEMBL3358543)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1Cc2cn(CCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(N)=O)nn2 |r|
Show InChI InChI=1/C51H69N17O8/c1-3-4-16-38(59-30(2)69)45(71)64-43-25-34-28-68(67-66-34)21-11-10-18-37(44(52)70)60-48(74)41(23-32-26-57-36-17-9-8-15-35(32)36)63-46(72)39(19-12-20-56-51(53)54)61-47(73)40(22-31-13-6-5-7-14-31)62-49(75)42(65-50(43)76)24-33-27-55-29-58-33/h5-9,13-15,17,26-29,37-43,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,52,70)(H,55,58)(H,59,69)(H,60,74)(H,61,73)(H,62,75)(H,63,72)(H,64,71)(H,65,76)(H4,53,54,56)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 1.60n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031499
PNG
(CHEMBL3358542)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=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)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
Show InChI InChI=1/C52H74N16O10/c1-29(2)21-39(62-31(4)70)47(74)68-43(25-44(53)71)51(78)67-42(24-34-27-57-28-61-34)50(77)65-40(22-32-13-6-5-7-14-32)48(75)64-38(18-12-20-59-52(55)56)46(73)66-41(23-33-26-60-36-16-9-8-15-35(33)36)49(76)63-37(45(54)72)17-10-11-19-58-30(3)69/h5-9,13-16,26-29,37-43,60H,10-12,17-25H2,1-4H3,(H2,53,71)(H2,54,72)(H,57,61)(H,58,69)(H,62,70)(H,63,76)(H,64,75)(H,65,77)(H,66,73)(H,67,78)(H,68,74)(H4,55,56,59)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.310n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031500
PNG
(CHEMBL2372859)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=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)N[C@@H](CCCCN)C(N)=O |wU:52.54,12.12,4.3,66.70,wD:20.20,30.31,41.43,(28.22,-.04,;26.88,-.81,;25.55,-.04,;24.22,-.81,;22.88,-.04,;22.88,1.5,;24.22,2.27,;25.55,1.5,;24.22,3.81,;21.55,-.81,;21.55,-2.35,;20.22,-.04,;18.88,-.81,;18.88,-2.35,;17.55,-3.12,;16.21,-2.35,;17.55,-4.66,;17.55,-.04,;17.55,1.5,;16.21,-.81,;14.88,-.04,;14.88,1.5,;13.55,2.27,;12.14,1.64,;11.11,2.78,;11.88,4.12,;13.39,3.8,;13.55,-.81,;13.55,-2.35,;12.21,-.04,;10.88,-.81,;10.88,-2.35,;9.55,-3.12,;9.55,-4.66,;8.21,-5.43,;6.88,-4.66,;6.88,-3.12,;8.21,-2.35,;9.55,-.04,;9.55,1.5,;8.21,-.81,;6.88,-.04,;6.88,1.5,;8.21,2.27,;8.21,3.81,;9.55,4.58,;9.55,6.12,;8.21,6.89,;10.88,6.89,;5.55,-.81,;5.55,-2.35,;4.21,-.04,;2.88,-.81,;2.88,-2.35,;1.54,-3.12,;.14,-2.5,;-.89,-3.64,;-.12,-4.98,;-.6,-6.44,;.43,-7.58,;1.94,-7.26,;2.41,-5.8,;1.38,-4.66,;1.54,-.04,;1.54,1.5,;.21,-.81,;-1.12,-.04,;-2.46,-.81,;-3.79,-.04,;-5.12,-.81,;-6.46,-.04,;-7.79,-.81,;-1.12,1.5,;-2.46,2.27,;.21,2.27,)|
Show InChI InChI=1S/C50H71N15O10/c1-3-4-16-36(59-29(2)66)44(70)65-41(25-42(67)68)49(75)64-40(24-32-27-55-28-58-32)48(74)62-38(22-30-13-6-5-7-14-30)46(72)61-37(19-12-21-56-50(53)54)45(71)63-39(23-31-26-57-34-17-9-8-15-33(31)34)47(73)60-35(43(52)69)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25,51H2,1-2H3,(H2,52,69)(H,55,58)(H,59,66)(H,60,73)(H,61,72)(H,62,74)(H,63,71)(H,64,75)(H,65,70)(H,67,68)(H4,53,54,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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n/an/an/an/a 0.210n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50017181
PNG
(CHEMBL441738)
Show SMILES CCCC[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 |r|
Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52-,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031488
PNG
(CHEMBL3358541)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-36(43(51)69)61-48(74)41(25-32-27-57-35-19-12-11-16-34(32)35)65-45(71)38(20-13-22-56-50(52)53)62-47(73)40(24-31-14-9-8-10-15-31)64-49(75)42(26-33-28-55-29-58-33)66-46(72)39(21-23-59-67-54)63-44(70)37(18-7-5-2)60-30(3)68/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,73)(H,63,70)(H,64,75)(H,65,71)(H,66,72)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
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n/an/an/an/a 0.0580n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031489
PNG
(CHEMBL3352878)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCC)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)N[C@@H](CCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C50H71N17O8/c1-4-6-17-37(60-30(3)68)44(70)62-38(18-7-5-2)45(71)66-42(26-33-28-55-29-58-33)49(75)64-40(24-31-14-9-8-10-15-31)47(73)63-39(20-13-22-56-50(52)53)46(72)65-41(25-32-27-57-35-19-12-11-16-34(32)35)48(74)61-36(43(51)69)21-23-59-67-54/h8-12,14-16,19,27-29,36-42,57H,4-7,13,17-18,20-26H2,1-3H3,(H2,51,69)(H,55,58)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H,64,75)(H,65,72)(H,66,71)(H4,52,53,56)/t36-,37-,38-,39-,40+,41-,42-/s2
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n/an/an/an/a 0.290n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031490
PNG
(CHEMBL3358540)
Show SMILES CCCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-8-12-21-37(44(52)70)62-48(74)41(25-33-27-58-36-20-14-13-18-35(33)36)65-46(72)39(22-15-23-57-51(53)54)63-47(73)40(24-32-16-10-9-11-17-32)64-49(75)42(26-34-28-56-30-59-34)66-50(76)43(29-60-68-55)67-45(71)38(19-7-5-2)61-31(3)69/h9-11,13-14,16-18,20,27-28,30,37-43,58H,4-8,12,15,19,21-26,29H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,74)(H,63,73)(H,64,75)(H,65,72)(H,66,76)(H,67,71)(H4,53,54,57)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.140n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031492
PNG
(CHEMBL3358539)
Show SMILES CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-9-20-37(44(52)70)62-49(75)42(26-33-28-58-36-19-13-12-17-35(33)36)66-46(72)39(21-14-23-57-51(53)54)63-48(74)41(25-32-15-10-8-11-16-32)65-50(76)43(27-34-29-56-30-59-34)67-47(73)40(22-24-60-68-55)64-45(71)38(18-7-5-2)61-31(3)69/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,74)(H,64,71)(H,65,76)(H,66,72)(H,67,73)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.0980n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031493
PNG
(CHEMBL3358538)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-18-37(44(52)70)62-49(75)42(26-33-28-58-36-20-12-11-17-35(33)36)66-46(72)39(21-13-23-57-51(53)54)64-48(74)41(25-32-15-9-8-10-16-32)65-50(76)43(27-34-29-56-30-59-34)67-47(73)40(22-14-24-60-68-55)63-45(71)38(19-7-5-2)61-31(3)69/h8-12,15-17,20,28-30,37-43,58H,4-7,13-14,18-19,21-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,72)(H,67,73)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 2.20n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031494
PNG
(CHEMBL3358537)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN=[N+]=[N-])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)N[C@@H](CC#C)C(N)=O |r|
Show InChI InChI=1/C51H69N17O8/c1-4-6-19-38(61-31(3)69)45(71)63-39(21-12-13-24-60-68-55)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-16-8-7-9-17-32)48(74)64-40(22-14-23-57-51(53)54)47(73)66-42(49(75)62-37(15-5-2)44(52)70)26-33-28-58-36-20-11-10-18-35(33)36/h2,7-11,16-18,20,28-30,37-43,58H,4,6,12-15,19,21-27H2,1,3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.810n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031495
PNG
(CHEMBL3358536)
Show SMILES CCCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=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)N[C@@H](CN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-8-12-21-38(62-45(71)37(19-7-5-2)61-31(3)69)46(72)66-42(26-34-28-56-30-59-34)50(76)64-40(24-32-16-10-9-11-17-32)48(74)63-39(22-15-23-57-51(53)54)47(73)65-41(49(75)67-43(44(52)70)29-60-68-55)25-33-27-58-36-20-14-13-18-35(33)36/h9-11,13-14,16-18,20,27-28,30,37-43,58H,4-8,12,15,19,21-26,29H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,71)(H,63,74)(H,64,76)(H,65,73)(H,66,72)(H,67,75)(H4,53,54,57)/t37-,38-,39-,40+,41-,42-,43-/s2
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n/an/an/an/a 0.190n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)
BDBM50031496
PNG
(CHEMBL3358535)
Show SMILES CCCCC[C@H](NC(=O)[C@H](CCCC)NC(C)=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)N[C@@H](CCN=[N+]=[N-])C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-9-20-39(63-45(71)38(18-7-5-2)61-31(3)69)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-15-10-8-11-16-32)48(74)64-40(21-14-23-57-51(53)54)47(73)66-42(26-33-28-58-36-19-13-12-17-35(33)36)49(75)62-37(44(52)70)22-24-60-68-55/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
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n/an/an/an/a 0.130n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair
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