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BDBM50144871 3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,41R,44S,50S,53S,56S,62S,65R,68S,71S,74S,77S,80S,83S,86R,93R,96S,102S,105S,108S,111S)-13,16,25-tribenzyl-34-{[(2S)-1-carbamoyl-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]carbamoyl}-53,56-bis(2-carbamoylethyl)-19-(carbamoylmethyl)-96-(carboxymethyl)-10,80-bis({3-[(diaminomethylidene)amino]propyl})-86-acetohydrazido-111-[(1R)-1-hydroxyethyl]-68-(hydroxymethyl)-4,31-bis[(4-hydroxyphenyl)methyl]-74-(1H-imidazol-4-ylmethyl)-22,105,108-trimethyl-62,7::CHEMBL428134

SMILES:

InChI Key: InChIKey=MYQDHXIMPMJXBQ-MNQAAEEESA-N

Data: 2 IC50  2 Kd  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50144871   
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
Melanocortin receptor 1


(Mus musculus)		BDBM50144871
PNG
(3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,4...)
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse Melanocortin 1 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50144871
PNG
(3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,4...)
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.74n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]-hAGRP(82-132)

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50144871
PNG
(3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,4...)
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 3.47n/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse melanocortin MC4 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Mus musculus (Mouse))		BDBM50144871
PNG
(3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,4...)
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse Melanocortin 5 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Mus musculus)		BDBM50144871
PNG
(3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,4...)
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 8.32n/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Effective concentration against mouse Melanocortin 3 receptor

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Mus musculus)		BDBM50144871
PNG
(3-[(1R,4S,7R,10S,13S,16S,19S,22S,25S,28R,31S,34R,4...)
Show InChI InChI=1S/C169H244N50O47S16/c1-80(2)58-103-138(238)184-69-127(228)189-100(47-50-124(170)225)141(241)192-101(48-51-125(171)226)143(243)214-131(83(7)8)166(266)219-57-27-38-123(219)162(262)211-119-76-272-279-275-267-71-114(153(253)190-97(133(233)134(173)234)34-23-53-181-167(174)175)206-149(249)108(63-92-39-43-95(223)44-40-92)200-156(256)116-73-269-277-276-268-72-115(154(254)191-98(35-24-54-182-168(176)177)139(239)198-106(61-90-30-19-15-20-31-90)146(246)199-107(62-91-32-21-16-22-33-91)147(247)203-111(66-126(172)227)144(244)187-85(10)136(236)195-105(148(248)208-116)60-89-28-17-14-18-29-89)207-150(250)109(64-93-41-45-96(224)46-42-93)201-157(257)120-77-273-280-278-270-74-117(155(255)196-103)209-152(252)113(70-220)205-142(242)102(49-52-128(229)230)193-151(251)110(65-94-68-180-79-185-94)202-145(245)104(59-81(3)4)197-140(240)99(36-25-55-183-169(178)179)194-163(263)130(82(5)6)213-160(260)121(217-216-88(13)222)78-274-282-281-271-75-118(210-159(119)259)158(258)204-112(67-129(231)232)165(265)218-56-26-37-122(218)161(261)188-84(9)135(235)186-86(11)137(237)215-132(87(12)221)164(264)212-120/h14-22,28-33,39-46,68,79-87,97-123,130-132,217,220-221,223-224H,23-27,34-38,47-67,69-78H2,1-13H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,234)(H,180,185)(H,184,238)(H,186,235)(H,187,244)(H,188,261)(H,189,228)(H,190,253)(H,191,254)(H,192,241)(H,193,251)(H,194,263)(H,195,236)(H,196,255)(H,197,240)(H,198,239)(H,199,246)(H,200,256)(H,201,257)(H,202,245)(H,203,247)(H,204,258)(H,205,242)(H,206,249)(H,207,250)(H,208,248)(H,209,252)(H,210,259)(H,211,262)(H,212,264)(H,213,260)(H,214,243)(H,215,237)(H,216,222)(H,229,230)(H,231,232)(H4,174,175,181)(H4,176,177,182)(H4,178,179,183)/t84-,85-,86-,87+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,130-,131-,132-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 29.8n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibitory concentration towards melanocortin MC4 receptor by displacing radioligand [125I]NDP-MSH

J Med Chem 47: 2194-207 (2004)


Article DOI: 10.1021/jm0303608
BindingDB Entry DOI: 10.7270/Q2474BM0
More data for this
Ligand-Target Pair