BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galanin receptor type 1' and Ligand = 'BDBM50307251'   
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
Galanin receptor type 1


(Homo sapiens (Human))
BDBM50307251
PNG
(CHEMBL592170 | GWTLNSAGYLLGPHAVGNHRSFSDKNGLTS-CONH...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r,wU:182.187,202.210,166.175,155.160,139.152,123.131,112.114,97.99,71.79,54.57,37.39,29.33,12.16,4.4,218.224,wD:186.203,174.183,160.167,131.139,102.111,93.95,81.87,60.68,43.51,20.25,211.217,212.220,(43.33,-74.31,;42.1,-75.24,;42.28,-76.76,;40.69,-74.64,;39.45,-75.58,;38.03,-74.97,;37.84,-73.45,;39.07,-72.52,;36.41,-72.84,;36.22,-71.32,;34.8,-70.71,;33.58,-71.64,;34.62,-69.2,;35.85,-68.27,;37.27,-68.86,;37.46,-70.38,;38.5,-67.94,;33.19,-68.59,;33.01,-67.07,;34.25,-66.14,;31.58,-66.47,;30.36,-67.38,;30.54,-68.92,;29.33,-69.84,;29.51,-71.38,;28.29,-72.3,;31.4,-64.94,;29.97,-64.33,;28.75,-65.26,;29.79,-62.82,;31.03,-61.89,;32.43,-62.48,;32.61,-64.01,;33.68,-61.56,;28.35,-62.21,;28.17,-60.68,;26.76,-60.07,;29.39,-59.75,;30.83,-60.36,;32.06,-59.43,;29.21,-58.24,;27.78,-57.63,;26.56,-58.54,;27.59,-56.09,;26.19,-55.49,;24.94,-56.42,;25.15,-57.96,;23.93,-58.88,;22.51,-58.29,;22.3,-56.77,;23.53,-55.83,;28.82,-55.17,;28.63,-53.63,;27.22,-53.03,;29.85,-52.71,;31.28,-53.32,;31.47,-54.84,;29.66,-51.17,;30.9,-50.25,;32.32,-50.86,;30.71,-48.72,;29.29,-48.11,;28.06,-49.05,;26.65,-48.45,;25.4,-49.38,;24,-48.78,;23.81,-47.26,;22.77,-49.71,;31.93,-47.79,;31.74,-46.26,;30.34,-45.66,;32.96,-45.34,;34.39,-45.94,;34.57,-47.46,;33.46,-48.52,;34.11,-49.91,;35.64,-49.72,;35.92,-48.21,;32.77,-43.8,;34,-42.88,;35.43,-43.49,;33.81,-41.34,;32.4,-40.74,;31.17,-41.67,;31.36,-43.21,;29.75,-41.08,;35.03,-40.42,;34.84,-38.88,;33.44,-38.29,;36.06,-37.97,;35.87,-36.42,;37.11,-35.51,;38.53,-36.12,;36.92,-33.97,;38.14,-33.05,;37.95,-31.51,;36.55,-30.91,;39.18,-30.59,;40.6,-31.19,;38.99,-29.05,;40.22,-28.13,;41.64,-28.74,;40.03,-26.59,;38.62,-25.99,;37.38,-26.93,;37.42,-28.47,;35.95,-28.98,;35.03,-27.76,;35.91,-26.49,;41.26,-25.67,;41.07,-24.14,;39.65,-23.54,;42.3,-23.22,;43.69,-23.9,;44.64,-22.49,;43.62,-21.17,;42.03,-21.73,;40.69,-20.97,;40.69,-19.42,;39.36,-21.73,;38.03,-20.95,;36.68,-21.73,;36.69,-23.26,;35.35,-20.95,;35.36,-19.41,;36.69,-18.64,;36.7,-17.1,;38.03,-19.41,;34.02,-21.72,;32.69,-20.94,;32.69,-19.41,;31.36,-21.71,;31.35,-23.25,;32.69,-24.02,;32.68,-25.56,;34.02,-23.26,;30.03,-20.94,;28.68,-21.71,;28.69,-23.24,;27.35,-20.93,;27.36,-19.39,;28.69,-18.63,;30.01,-19.39,;31.35,-18.63,;31.34,-17.09,;32.68,-16.31,;30.01,-16.32,;28.69,-17.09,;26.02,-21.7,;24.69,-20.93,;24.69,-19.39,;23.36,-21.69,;22.03,-20.92,;20.68,-21.69,;20.69,-23.23,;19.35,-20.91,;19.36,-19.38,;18.02,-21.68,;16.68,-20.91,;16.68,-19.37,;15.35,-21.67,;15.34,-23.22,;16.69,-23.99,;14.02,-20.91,;12.68,-21.67,;12.69,-23.21,;11.35,-20.9,;11.36,-19.36,;12.69,-18.6,;14.03,-19.36,;12.69,-17.05,;10.02,-21.67,;8.68,-20.89,;8.68,-19.36,;7.35,-21.66,;7.34,-23.2,;8.69,-23.97,;8.68,-25.52,;10.02,-23.2,;6.02,-20.89,;4.68,-21.65,;4.68,-23.19,;3.35,-20.88,;2.02,-21.65,;.68,-20.88,;.68,-19.34,;-.65,-21.64,;-.66,-23.18,;.69,-23.95,;2.08,-23.34,;3.1,-24.48,;2.33,-25.81,;2.81,-27.28,;1.77,-28.41,;.26,-28.09,;-.2,-26.62,;.84,-25.48,;-1.98,-20.87,;-3.33,-21.64,;-3.32,-23.17,;-4.65,-20.87,;-5.98,-21.63,;3.36,-19.34,;2.03,-18.56,;4.69,-18.58,;35.5,-33.37,;34.27,-34.3,;35.32,-31.85,;39.63,-77.09,;38.41,-78.02,;41.06,-77.7,;41.25,-79.22,;40.03,-80.14,;38.61,-79.54,;40.22,-81.67,;42.67,-79.82,;43.91,-78.9,;42.85,-81.35,;44.29,-81.95,;45.52,-81.02,;46.93,-81.62,;44.47,-83.47,;45.89,-84.08,;43.24,-84.4,)|
Show InChI InChI=1S/C139H211N43O42/c1-65(2)38-84(166-122(208)86(40-67(5)6)167-124(210)88(43-75-31-33-79(189)34-32-75)162-106(194)55-152-115(201)70(11)158-132(218)98(60-184)177-128(214)95(49-104(144)192)171-123(209)87(41-68(7)8)174-137(223)112(72(13)187)181-131(217)90(160-105(193)51-141)44-76-52-151-81-27-19-18-26-80(76)81)117(203)155-58-109(197)182-37-23-30-101(182)135(221)173-91(45-77-53-148-63-156-77)121(207)159-71(12)116(202)179-111(69(9)10)136(222)154-57-108(196)163-94(48-103(143)191)127(213)169-92(46-78-54-149-64-157-78)126(212)165-83(29-22-36-150-139(146)147)120(206)176-99(61-185)133(219)168-89(42-74-24-16-15-17-25-74)125(211)178-100(62-186)134(220)172-96(50-110(198)199)129(215)164-82(28-20-21-35-140)119(205)170-93(47-102(142)190)118(204)153-56-107(195)161-85(39-66(3)4)130(216)180-113(73(14)188)138(224)175-97(59-183)114(145)200/h15-19,24-27,31-34,52-54,63-73,82-101,111-113,151,183-189H,20-23,28-30,35-51,55-62,140-141H2,1-14H3,(H2,142,190)(H2,143,191)(H2,144,192)(H2,145,200)(H,148,156)(H,149,157)(H,152,201)(H,153,204)(H,154,222)(H,155,203)(H,158,218)(H,159,207)(H,160,193)(H,161,195)(H,162,194)(H,163,196)(H,164,215)(H,165,212)(H,166,208)(H,167,210)(H,168,219)(H,169,213)(H,170,205)(H,171,209)(H,172,220)(H,173,221)(H,174,223)(H,175,224)(H,176,206)(H,177,214)(H,178,211)(H,179,202)(H,180,216)(H,181,217)(H,198,199)(H4,146,147,150)/t70-,71-,72+,73+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-,112-,113-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
545n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human GalR1


J Med Chem 53: 1871-5 (2010)


Article DOI: 10.1021/jm9018349
BindingDB Entry DOI: 10.7270/Q26D5TXJ
More data for this
Ligand-Target Pair