new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CGRP' and Ligand = 'BDBM85835'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
CGRP


(PIG)
BDBM85835
PNG
([Cys(ACM)2,7]h alpha-CGRP)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#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]-[#6]-[#7]-[#6](-[#6])=O)-[#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]-[#6]-[#7]-[#6](-[#6])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#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/C169H283N53O51S2/c1-77(2)54-103(194-122(236)67-185-137(243)86(18)191-145(251)104(55-78(3)4)201-143(249)100(46-37-51-182-168(177)178)196-148(254)107(59-97-64-181-74-188-97)207-165(271)134(92(24)229)221-162(268)129(83(13)14)215-157(263)116(73-275-76-190-94(26)231)212-166(272)132(90(22)227)218-139(245)88(20)193-163(269)131(89(21)226)219-153(259)111(63-125(239)240)206-156(262)115(211-136(242)85(17)172)72-274-75-189-93(25)230)146(252)202-105(56-79(5)6)147(253)210-114(71-225)155(261)198-101(47-38-52-183-169(179)180)144(250)209-112(69-223)140(246)186-65-121(235)184-66-124(238)213-127(81(9)10)161(267)216-128(82(11)12)160(266)199-99(45-34-36-50-171)142(248)204-108(60-118(173)232)150(256)205-109(61-119(174)233)149(255)203-106(58-96-42-31-28-32-43-96)151(257)217-130(84(15)16)167(273)222-53-39-48-117(222)158(264)220-133(91(23)228)164(270)208-110(62-120(175)234)152(258)214-126(80(7)8)159(265)187-68-123(237)195-113(70-224)154(260)197-98(44-33-35-49-170)141(247)192-87(19)138(244)200-102(135(176)241)57-95-40-29-27-30-41-95/h27-32,40-43,77-92,97-117,126-134,181,188,223-229H,33-39,44-76,170-172H2,1-26H3,(H2,173,232)(H2,174,233)(H2,175,234)(H2,176,241)(H,184,235)(H,185,243)(H,186,246)(H,187,265)(H,189,230)(H,190,231)(H,191,251)(H,192,247)(H,193,269)(H,194,236)(H,195,237)(H,196,254)(H,197,260)(H,198,261)(H,199,266)(H,200,244)(H,201,249)(H,202,252)(H,203,255)(H,204,248)(H,205,256)(H,206,262)(H,207,271)(H,208,270)(H,209,250)(H,210,253)(H,211,242)(H,212,272)(H,213,238)(H,214,258)(H,215,263)(H,216,267)(H,217,257)(H,218,245)(H,219,259)(H,220,264)(H,221,268)(H,239,240)(H4,177,178,182)(H4,179,180,183)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
38.4n/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