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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NPY2R' and Ligand = 'BDBM82281'   
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
NPY2R


(GUINEA PIG)
BDBM82281
PNG
(NPY22-36, porcine | NPY22-36, rat, human)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:86.89,85.86,61.62,8.17,103.104,20.28,41.47,123.124,54.56,wD:77.78,69.70,4.4,92.93,30.39,112.113,78.80,2.2,49.51,(38.36,6.07,;37.02,5.3,;37.02,3.76,;38.36,2.99,;35.69,2.99,;35.69,1.45,;37.02,.68,;38.36,1.45,;37.02,-.86,;35.69,-1.63,;35.69,-3.17,;34.36,-3.94,;34.36,-5.48,;35.69,-6.25,;35.69,-7.79,;37.02,-5.48,;37.02,-3.94,;38.36,-1.63,;39.69,-.86,;39.69,.68,;41.02,-1.63,;41.02,-3.17,;42.36,-3.94,;43.76,-3.32,;44.8,-4.46,;44.03,-5.8,;42.52,-5.48,;42.36,-.86,;42.36,.68,;41.02,1.45,;43.13,2.01,;42.36,3.34,;43.13,4.68,;44.67,4.68,;45.44,6.01,;44.67,7.34,;45.44,8.68,;43.13,7.34,;44.67,2.01,;45.44,.68,;44.67,-.66,;46.98,.68,;47.75,-.66,;46.98,-1.99,;47.75,-3.32,;45.44,-1.99,;47.75,2.01,;49.29,2.01,;50.06,.68,;50.06,3.34,;49.29,4.68,;51.6,3.34,;52.37,4.68,;51.6,6.01,;53.91,4.68,;54.68,6.01,;54.68,3.34,;56.22,3.34,;34.36,3.76,;33.02,2.99,;34.36,5.3,;33.02,6.07,;32.03,4.89,;30.52,5.15,;29.53,3.97,;29.99,6.6,;33.02,7.61,;34.36,8.38,;32.03,8.79,;32.56,10.23,;34.08,10.5,;34.6,11.95,;36.12,12.22,;33.61,13.13,;31.57,11.41,;32.1,12.86,;30.05,11.15,;29.06,12.33,;29.59,13.77,;31.11,14.04,;28.6,14.95,;29.13,16.4,;27.55,12.06,;27.02,10.61,;26.56,13.24,;25.04,12.97,;24.51,11.52,;25.5,10.34,;23,11.26,;24.05,14.15,;24.58,15.6,;22.53,13.88,;21.54,15.06,;22.07,16.51,;21.08,17.69,;21.61,19.14,;20.62,20.32,;21.14,21.76,;20.15,22.94,;22.66,22.03,;20.03,14.8,;19.5,13.35,;19.04,15.97,;17.52,15.71,;16.99,14.26,;15.48,13.99,;14.95,12.55,;13.43,12.28,;15.94,11.37,;16.53,16.89,;17.06,18.33,;15.01,16.62,;14.02,17.8,;14.55,19.25,;13.56,20.43,;14.09,21.87,;13.1,23.05,;13.62,24.5,;12.63,25.68,;15.14,24.77,;12.51,17.53,;11.98,16.08,;11.52,18.71,;10,18.44,;9.47,17,;7.96,16.73,;6.97,17.91,;5.45,17.64,;4.92,16.19,;3.41,15.93,;5.91,15.02,;7.43,15.28,;9.01,19.62,;9.54,21.07,;7.49,19.36,)|
Show InChI InChI=1S/C85H139N29O21/c1-11-43(7)65(112-79(132)60(35-48-21-25-51(118)26-22-48)109-76(129)61(36-49-38-96-40-100-49)110-73(126)54(17-14-30-98-84(92)93)103-75(128)58(32-41(3)4)107-69(122)45(9)101-70(123)52(86)39-115)80(133)111-62(37-64(88)120)77(130)108-59(33-42(5)6)78(131)113-66(44(8)12-2)81(134)114-67(46(10)116)82(135)105-55(18-15-31-99-85(94)95)71(124)104-56(27-28-63(87)119)74(127)102-53(16-13-29-97-83(90)91)72(125)106-57(68(89)121)34-47-19-23-50(117)24-20-47/h19-26,38,40-46,52-62,65-67,115-118H,11-18,27-37,39,86H2,1-10H3,(H2,87,119)(H2,88,120)(H2,89,121)(H,96,100)(H,101,123)(H,102,127)(H,103,128)(H,104,124)(H,105,135)(H,106,125)(H,107,122)(H,108,130)(H,109,129)(H,110,126)(H,111,133)(H,112,132)(H,113,131)(H,114,134)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.136n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Regul Pept 23-8 (1998)


Article DOI: 10.1016/s0167-0115(98)00049-4
BindingDB Entry DOI: 10.7270/Q2JM2853
More data for this
Ligand-Target Pair