Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50492971' 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
(Homo sapiens (Human)) | BDBM50492971
(CHEMBL2415081)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc2cn(CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)nn2)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)C)nn1)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(N)=O |r| Show InChI InChI=1S/C146H224N34O28/c1-11-13-45-107(133(195)167-111(57-65-129(189)190)137(199)173-117(77-101-81-153-87-159-101)141(203)171-115(73-95-37-19-15-20-38-95)139(201)163-109(49-35-67-155-145(149)150)135(197)169-113(131(147)193)75-97-79-157-105-47-27-25-43-103(97)105)165-143(205)119(85-181)161-127(187)51-23-17-31-69-179-83-99(175-177-179)41-29-33-71-207-125(90(5)6)63-56-93(9)122(184)60-54-92(8)124(186)62-64-126(94(10)55-61-123(185)91(7)53-59-121(183)89(3)4)208-72-34-30-42-100-84-180(178-176-100)70-32-18-24-52-128(188)162-120(86-182)144(206)166-108(46-14-12-2)134(196)168-112(58-66-130(191)192)138(200)174-118(78-102-82-154-88-160-102)142(204)172-116(74-96-39-21-16-22-40-96)140(202)164-110(50-36-68-156-146(151)152)136(198)170-114(132(148)194)76-98-80-158-106-48-28-26-44-104(98)106/h15-16,19-22,25-28,37-40,43-44,47-48,79-84,87-94,107-126,157-158,181-186H,11-14,17-18,23-24,29-36,41-42,45-46,49-78,85-86H2,1-10H3,(H2,147,193)(H2,148,194)(H,153,159)(H,154,160)(H,161,187)(H,162,188)(H,163,201)(H,164,202)(H,165,205)(H,166,206)(H,167,195)(H,168,196)(H,169,197)(H,170,198)(H,171,203)(H,172,204)(H,173,199)(H,174,200)(H,189,190)(H,191,192)(H4,149,150,155)(H4,151,152,156)/t91?,92?,93?,94?,107-,108-,109-,110-,111-,112-,113-,114-,115+,116+,117-,118-,119-,120-,121?,122?,123?,124?,125?,126?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGOMSH(7) from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
Melanocortin receptor 4
(Homo sapiens (Human)) | BDBM50492971
(CHEMBL2415081)Show SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCn1cc(CCCCOC(CCC(C)C(O)CCC(C)C(O)CCC(OCCCCc2cn(CCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)nn2)C(C)CCC(O)C(C)CCC(O)C(C)C)C(C)C)nn1)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(N)=O |r| Show InChI InChI=1S/C146H224N34O28/c1-11-13-45-107(133(195)167-111(57-65-129(189)190)137(199)173-117(77-101-81-153-87-159-101)141(203)171-115(73-95-37-19-15-20-38-95)139(201)163-109(49-35-67-155-145(149)150)135(197)169-113(131(147)193)75-97-79-157-105-47-27-25-43-103(97)105)165-143(205)119(85-181)161-127(187)51-23-17-31-69-179-83-99(175-177-179)41-29-33-71-207-125(90(5)6)63-56-93(9)122(184)60-54-92(8)124(186)62-64-126(94(10)55-61-123(185)91(7)53-59-121(183)89(3)4)208-72-34-30-42-100-84-180(178-176-100)70-32-18-24-52-128(188)162-120(86-182)144(206)166-108(46-14-12-2)134(196)168-112(58-66-130(191)192)138(200)174-118(78-102-82-154-88-160-102)142(204)172-116(74-96-39-21-16-22-40-96)140(202)164-110(50-36-68-156-146(151)152)136(198)170-114(132(148)194)76-98-80-158-106-48-28-26-44-104(98)106/h15-16,19-22,25-28,37-40,43-44,47-48,79-84,87-94,107-126,157-158,181-186H,11-14,17-18,23-24,29-36,41-42,45-46,49-78,85-86H2,1-10H3,(H2,147,193)(H2,148,194)(H,153,159)(H,154,160)(H,161,187)(H,162,188)(H,163,201)(H,164,202)(H,165,205)(H,166,206)(H,167,195)(H,168,196)(H,169,197)(H,170,198)(H,171,203)(H,172,204)(H,173,199)(H,174,200)(H,189,190)(H,191,192)(H4,149,150,155)(H4,151,152,156)/t91?,92?,93?,94?,107-,108-,109-,110-,111-,112-,113-,114-,115+,116+,117-,118-,119-,120-,121?,122?,123?,124?,125?,126?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of Eu-DTPA-PEGO-NDP-alpha-MSH-NH2 from human MC4R expressed in HEL293 cells after 1 hr by time-resolved fluorescence assay |
Bioorg Med Chem 21: 5029-38 (2013)
Article DOI: 10.1016/j.bmc.2013.06.052
BindingDB Entry DOI: 10.7270/Q26T0QK2 |
More data for this
Ligand-Target Pair | |
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