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BDBM85615 L-Phe-L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Glu-L-Leu-L-Gln-L-Arg-L-Leu-L-Gln-L-Glu-L-Lys-L-Glu-L-Arg-L-Asn-L-Lys-Gly-L-Gln-L-Hse-OH::SK-896

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#8])-[#6](-[#8])=O

InChI Key: InChIKey=MQCKZUPRTHWQQQ-IOQNLEIOSA-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 = 85615   
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
Motilin


(RABBIT)
BDBM85615
PNG
(L-Phe-L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Gl...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C125H197N35O37/c1-10-67(8)101(158-119(192)90-32-23-54-160(90)122(195)100(66(6)7)157-103(176)73(128)58-69-24-13-11-14-25-69)120(193)156-88(59-70-26-15-12-16-27-70)118(191)159-102(68(9)162)121(194)155-87(60-71-33-35-72(163)36-34-71)105(178)140-63-96(169)142-79(40-46-97(170)171)110(183)153-86(57-65(4)5)116(189)149-80(38-44-92(130)165)111(184)145-76(30-21-52-137-124(133)134)107(180)152-85(56-64(2)3)115(188)150-81(39-45-93(131)166)112(185)148-83(42-48-99(174)175)113(186)144-75(29-18-20-51-127)106(179)147-82(41-47-98(172)173)114(187)146-77(31-22-53-138-125(135)136)108(181)154-89(61-94(132)167)117(190)143-74(28-17-19-50-126)104(177)139-62-95(168)141-78(37-43-91(129)164)109(182)151-84(49-55-161)123(196)197/h11-16,24-27,33-36,64-68,73-90,100-102,161-163H,10,17-23,28-32,37-63,126-128H2,1-9H3,(H2,129,164)(H2,130,165)(H2,131,166)(H2,132,167)(H,139,177)(H,140,178)(H,141,168)(H,142,169)(H,143,190)(H,144,186)(H,145,184)(H,146,187)(H,147,179)(H,148,185)(H,149,189)(H,150,188)(H,151,182)(H,152,180)(H,153,183)(H,154,181)(H,155,194)(H,156,193)(H,157,176)(H,158,192)(H,159,191)(H,170,171)(H,172,173)(H,174,175)(H,196,197)(H4,133,134,137)(H4,135,136,138)/t67-,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,100-,101-,102-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd.

Curated by PDSP Ki Database




Pharmacology 60: 128-35 (2000)


Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N
More data for this
Ligand-Target Pair
Motilin


(RABBIT)
BDBM85615
PNG
(L-Phe-L-Val-L-Pro-L-Ile-L-Phe-L-Thr-L-Tyr-Gly-L-Gl...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C125H197N35O37/c1-10-67(8)101(158-119(192)90-32-23-54-160(90)122(195)100(66(6)7)157-103(176)73(128)58-69-24-13-11-14-25-69)120(193)156-88(59-70-26-15-12-16-27-70)118(191)159-102(68(9)162)121(194)155-87(60-71-33-35-72(163)36-34-71)105(178)140-63-96(169)142-79(40-46-97(170)171)110(183)153-86(57-65(4)5)116(189)149-80(38-44-92(130)165)111(184)145-76(30-21-52-137-124(133)134)107(180)152-85(56-64(2)3)115(188)150-81(39-45-93(131)166)112(185)148-83(42-48-99(174)175)113(186)144-75(29-18-20-51-127)106(179)147-82(41-47-98(172)173)114(187)146-77(31-22-53-138-125(135)136)108(181)154-89(61-94(132)167)117(190)143-74(28-17-19-50-126)104(177)139-62-95(168)141-78(37-43-91(129)164)109(182)151-84(49-55-161)123(196)197/h11-16,24-27,33-36,64-68,73-90,100-102,161-163H,10,17-23,28-32,37-63,126-128H2,1-9H3,(H2,129,164)(H2,130,165)(H2,131,166)(H2,132,167)(H,139,177)(H,140,178)(H,141,168)(H,142,169)(H,143,190)(H,144,186)(H,145,184)(H,146,187)(H,147,179)(H,148,185)(H,149,189)(H,150,188)(H,151,182)(H,152,180)(H,153,183)(H,154,181)(H,155,194)(H,156,193)(H,157,176)(H,158,192)(H,159,191)(H,170,171)(H,172,173)(H,174,175)(H,196,197)(H4,133,134,137)(H4,135,136,138)/t67-,68+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,100-,101-,102-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.5n/an/an/an/an/an/an/an/a



Sanwa Kagaku Kenkyusho Co., Ltd.

Curated by PDSP Ki Database




Pharmacology 60: 128-35 (2000)


Article DOI: 28357
BindingDB Entry DOI: 10.7270/Q2RV0M7N
More data for this
Ligand-Target Pair