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BDBM85834 [Pro14]h alpha-CGRP

SMILES: [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O

InChI Key: InChIKey=YMHBOHLYBXLIQS-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 = 85834   
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
RAMP1


(PIG)
BDBM85834
PNG
([Pro14]h alpha-CGRP)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O
Show InChI InChI=1S/C166H277N51O49S2/c1-75(2)55-99(194-138(240)96(45-35-51-179-165(174)175)189-143(245)103(60-93-65-178-74-184-93)201-161(263)130(90(24)224)215-158(260)125(81(13)14)209-152(254)112(73-268)206-162(264)128(88(22)222)212-134(236)85(19)186-159(261)127(87(21)221)213-148(250)107(64-121(231)232)199-151(253)111(72-267)205-132(234)83(17)169)140(242)187-86(20)163(265)216-53-37-47-113(216)153(255)200-101(57-77(5)6)141(243)195-100(56-76(3)4)142(244)204-110(71-220)150(252)191-97(46-36-52-180-166(176)177)139(241)203-108(69-218)135(237)182-66-118(228)181-67-120(230)207-123(79(9)10)157(259)210-124(80(11)12)156(258)192-95(44-32-34-50-168)137(239)197-104(61-115(170)225)145(247)198-105(62-116(171)226)144(246)196-102(59-92-41-29-26-30-42-92)146(248)211-126(82(15)16)164(266)217-54-38-48-114(217)154(256)214-129(89(23)223)160(262)202-106(63-117(172)227)147(249)208-122(78(7)8)155(257)183-68-119(229)188-109(70-219)149(251)190-94(43-31-33-49-167)136(238)185-84(18)133(235)193-98(131(173)233)58-91-39-27-25-28-40-91/h25-30,39-42,75-90,93-114,122-130,178,184,218-224,267-268H,31-38,43-74,167-169H2,1-24H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,233)(H,181,228)(H,182,237)(H,183,257)(H,185,238)(H,186,261)(H,187,242)(H,188,229)(H,189,245)(H,190,251)(H,191,252)(H,192,258)(H,193,235)(H,194,240)(H,195,243)(H,196,246)(H,197,239)(H,198,247)(H,199,253)(H,200,255)(H,201,263)(H,202,262)(H,203,241)(H,204,244)(H,205,234)(H,206,264)(H,207,230)(H,208,249)(H,209,254)(H,210,259)(H,211,248)(H,212,236)(H,213,250)(H,214,256)(H,215,260)(H,231,232)(H4,174,175,179)(H4,176,177,180)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
5.5n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair
CGRP


(PIG)
BDBM85834
PNG
([Pro14]h alpha-CGRP)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O
Show InChI InChI=1S/C166H277N51O49S2/c1-75(2)55-99(194-138(240)96(45-35-51-179-165(174)175)189-143(245)103(60-93-65-178-74-184-93)201-161(263)130(90(24)224)215-158(260)125(81(13)14)209-152(254)112(73-268)206-162(264)128(88(22)222)212-134(236)85(19)186-159(261)127(87(21)221)213-148(250)107(64-121(231)232)199-151(253)111(72-267)205-132(234)83(17)169)140(242)187-86(20)163(265)216-53-37-47-113(216)153(255)200-101(57-77(5)6)141(243)195-100(56-76(3)4)142(244)204-110(71-220)150(252)191-97(46-36-52-180-166(176)177)139(241)203-108(69-218)135(237)182-66-118(228)181-67-120(230)207-123(79(9)10)157(259)210-124(80(11)12)156(258)192-95(44-32-34-50-168)137(239)197-104(61-115(170)225)145(247)198-105(62-116(171)226)144(246)196-102(59-92-41-29-26-30-42-92)146(248)211-126(82(15)16)164(266)217-54-38-48-114(217)154(256)214-129(89(23)223)160(262)202-106(63-117(172)227)147(249)208-122(78(7)8)155(257)183-68-119(229)188-109(70-219)149(251)190-94(43-31-33-49-167)136(238)185-84(18)133(235)193-98(131(173)233)58-91-39-27-25-28-40-91/h25-30,39-42,75-90,93-114,122-130,178,184,218-224,267-268H,31-38,43-74,167-169H2,1-24H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,233)(H,181,228)(H,182,237)(H,183,257)(H,185,238)(H,186,261)(H,187,242)(H,188,229)(H,189,245)(H,190,251)(H,191,252)(H,192,258)(H,193,235)(H,194,240)(H,195,243)(H,196,246)(H,197,239)(H,198,247)(H,199,253)(H,200,255)(H,201,263)(H,202,262)(H,203,241)(H,204,244)(H,205,234)(H,206,264)(H,207,230)(H,208,249)(H,209,254)(H,210,259)(H,211,248)(H,212,236)(H,213,250)(H,214,256)(H,215,260)(H,231,232)(H4,174,175,179)(H4,176,177,180)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
9n/an/an/an/an/an/an/an/a



Creighton University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1086-94 (2001)


BindingDB Entry DOI: 10.7270/Q29C6W07
More data for this
Ligand-Target Pair