Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50144877' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Melanocortin receptor 4
(Mus musculus) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.46 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Melanocortin receptor 4
(Mus musculus) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.45 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50144877
(CHEMBL269274)Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CSSSSC[C@@H]3NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSSSC[C@H](NNC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N2)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSSSC[C@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC3=O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)NN(Cc3ccccc3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC1=O)C(C)C)[C@@H](C)O Show InChI InChI=1S/C176H251N55O48S16/c1-83(2)57-109-144(250)193-70-133(240)199-106(46-49-130(177)237)147(253)201-107(47-50-131(178)238)149(255)224-137(86(7)8)172(278)230-56-26-37-129(230)168(274)220-125-78-285-292-288-280-73-120(158(264)200-103(139(245)140(180)246)33-22-52-189-173(181)182)215-153(259)112(60-93-38-42-99(235)43-39-93)207-160(266)121-74-281-289-290-282-75-122(161(267)211-116(64-98-69-188-82-195-98)166(272)228-231(71-95-29-18-15-19-30-95)176(279)222-105(35-24-54-191-175(185)186)146(252)209-114(62-96-67-192-102-32-21-20-31-101(96)102)155(261)212-117(65-132(179)239)150(256)197-88(10)142(248)204-111(152(258)216-121)59-92-27-16-14-17-28-92)217-154(260)113(61-94-40-44-100(236)45-41-94)208-162(268)126-79-286-293-291-283-76-123(159(265)205-109)218-157(263)119(72-232)214-148(254)108(48-51-134(241)242)202-156(262)115(63-97-68-187-81-194-97)210-151(257)110(58-84(3)4)206-145(251)104(34-23-53-190-174(183)184)203-169(275)136(85(5)6)223-165(271)127(227-226-91(13)234)80-287-295-294-284-77-124(219-164(125)270)163(269)213-118(66-135(243)244)171(277)229-55-25-36-128(229)167(273)198-87(9)141(247)196-89(11)143(249)225-138(90(12)233)170(276)221-126/h14-21,27-32,38-45,67-69,81-90,103-129,136-138,192,227,232-233,235-236H,22-26,33-37,46-66,70-80H2,1-13H3,(H2,177,237)(H2,178,238)(H2,179,239)(H2,180,246)(H,187,194)(H,188,195)(H,193,250)(H,196,247)(H,197,256)(H,198,273)(H,199,240)(H,200,264)(H,201,253)(H,202,262)(H,203,275)(H,204,248)(H,205,265)(H,206,251)(H,207,266)(H,208,268)(H,209,252)(H,210,257)(H,211,267)(H,212,261)(H,213,269)(H,214,254)(H,215,259)(H,216,258)(H,217,260)(H,218,263)(H,219,270)(H,220,274)(H,221,276)(H,222,279)(H,223,271)(H,224,255)(H,225,249)(H,226,234)(H,228,272)(H,241,242)(H,243,244)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t87-,88-,89-,90+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,136-,137-,138-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/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 | |