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BDBM85951 hAc-MCH(6-16)-NH2

SMILES: [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O

InChI Key: InChIKey=JNVDHZYXFWPCNN-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 85951   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85951
PNG
(hAc-MCH(6-16)-NH2)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C58H97N21O13S3/c1-30(2)25-39-47(84)69-27-44(82)71-36(12-8-21-67-57(62)63)50(87)78-45(31(3)4)54(91)75-40(26-33-15-17-34(81)18-16-33)51(88)73-38(13-9-22-68-58(64)65)55(92)79-23-10-14-43(79)53(90)76-41(46(59)83)28-94-95-29-42(52(89)72-37(19-24-93-6)49(86)74-39)77-48(85)35(70-32(5)80)11-7-20-66-56(60)61/h15-18,30-31,35-43,45,81H,7-14,19-29H2,1-6H3,(H2,59,83)(H,69,84)(H,70,80)(H,71,82)(H,72,89)(H,73,88)(H,74,86)(H,75,91)(H,76,90)(H,77,85)(H,78,87)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)
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PC cid
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Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/bi0200514
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM85951
PNG
(hAc-MCH(6-16)-NH2)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6]-1=O)-[#6](-[#6])-[#6])-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O
Show InChI InChI=1S/C58H97N21O13S3/c1-30(2)25-39-47(84)69-27-44(82)71-36(12-8-21-67-57(62)63)50(87)78-45(31(3)4)54(91)75-40(26-33-15-17-34(81)18-16-33)51(88)73-38(13-9-22-68-58(64)65)55(92)79-23-10-14-43(79)53(90)76-41(46(59)83)28-94-95-29-42(52(89)72-37(19-24-93-6)49(86)74-39)77-48(85)35(70-32(5)80)11-7-20-66-56(60)61/h15-18,30-31,35-43,45,81H,7-14,19-29H2,1-6H3,(H2,59,83)(H,69,84)(H,70,80)(H,71,82)(H,72,89)(H,73,88)(H,74,86)(H,75,91)(H,76,90)(H,77,85)(H,78,87)(H4,60,61,66)(H4,62,63,67)(H4,64,65,68)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




Biochemistry 41: 6383-90 (2002)


Article DOI: 10.1021/bi0200514
BindingDB Entry DOI: 10.7270/Q23N21ZT
More data for this
Ligand-Target Pair