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BDBM85945 des(Ac-Arg6),Ava14,15::desArg6,Ava14,15

SMILES: [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#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

InChI Key: InChIKey=ZNCCWJWAHDKEFZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 85945   
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
GPR145


(Homo sapiens (Human))
BDBM85945
PNG
(des(Ac-Arg6),Ava14,15 | desArg6,Ava14,15)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#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
Show InChI InChI=1S/C44H73N13O10S3/c1-24(2)19-31-40(64)51-21-35(60)52-29(9-8-17-50-44(47)48)42(66)57-36(25(3)4)43(67)56-32(20-26-11-13-27(58)14-12-26)39(63)49-16-7-6-10-34(59)53-33(37(46)61)23-70-69-22-28(45)38(62)54-30(15-18-68-5)41(65)55-31/h11-14,24-25,28-33,36,58H,6-10,15-23,45H2,1-5H3,(H2,46,61)(H,49,63)(H,51,64)(H,52,60)(H,53,59)(H,54,62)(H,55,65)(H,56,67)(H,57,66)(H4,47,48,50)
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48n/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))
BDBM85945
PNG
(des(Ac-Arg6),Ava14,15 | desArg6,Ava14,15)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#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
Show InChI InChI=1S/C44H73N13O10S3/c1-24(2)19-31-40(64)51-21-35(60)52-29(9-8-17-50-44(47)48)42(66)57-36(25(3)4)43(67)56-32(20-26-11-13-27(58)14-12-26)39(63)49-16-7-6-10-34(59)53-33(37(46)61)23-70-69-22-28(45)38(62)54-30(15-18-68-5)41(65)55-31/h11-14,24-25,28-33,36,58H,6-10,15-23,45H2,1-5H3,(H2,46,61)(H,49,63)(H,51,64)(H,52,60)(H,53,59)(H,54,62)(H,55,65)(H,56,67)(H,57,66)(H4,47,48,50)
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77n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85945
PNG
(des(Ac-Arg6),Ava14,15 | desArg6,Ava14,15)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#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
Show InChI InChI=1S/C44H73N13O10S3/c1-24(2)19-31-40(64)51-21-35(60)52-29(9-8-17-50-44(47)48)42(66)57-36(25(3)4)43(67)56-32(20-26-11-13-27(58)14-12-26)39(63)49-16-7-6-10-34(59)53-33(37(46)61)23-70-69-22-28(45)38(62)54-30(15-18-68-5)41(65)55-31/h11-14,24-25,28-33,36,58H,6-10,15-23,45H2,1-5H3,(H2,46,61)(H,49,63)(H,51,64)(H,52,60)(H,53,59)(H,54,62)(H,55,65)(H,56,67)(H,57,66)(H4,47,48,50)
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190n/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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM85945
PNG
(des(Ac-Arg6),Ava14,15 | desArg6,Ava14,15)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#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
Show InChI InChI=1S/C44H73N13O10S3/c1-24(2)19-31-40(64)51-21-35(60)52-29(9-8-17-50-44(47)48)42(66)57-36(25(3)4)43(67)56-32(20-26-11-13-27(58)14-12-26)39(63)49-16-7-6-10-34(59)53-33(37(46)61)23-70-69-22-28(45)38(62)54-30(15-18-68-5)41(65)55-31/h11-14,24-25,28-33,36,58H,6-10,15-23,45H2,1-5H3,(H2,46,61)(H,49,63)(H,51,64)(H,52,60)(H,53,59)(H,54,62)(H,55,65)(H,56,67)(H,57,66)(H4,47,48,50)
Reactome pathway
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300n/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