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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'PACAP' and Ligand = 'BDBM82445'   
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
PACAP


(RAT)
BDBM82445
PNG
(PACAP(9-27))
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C104H172N30O25S/c1-54(2)47-75(84(110)141)127-102(159)83(57(7)8)134-86(143)59(10)117-85(142)58(9)119-96(153)76(48-55(3)4)129-98(155)79(51-63-30-36-66(139)37-31-63)131-93(150)69(22-14-17-42-106)121-91(148)70(23-15-18-43-107)126-101(158)82(56(5)6)133-87(144)60(11)118-89(146)74(40-46-160-12)125-95(152)73(38-39-81(109)140)124-90(147)68(21-13-16-41-105)120-92(149)71(24-19-44-115-103(111)112)122-97(154)78(50-62-28-34-65(138)35-29-62)130-94(151)72(25-20-45-116-104(113)114)123-100(157)80(53-136)132-99(156)77(128-88(145)67(108)52-135)49-61-26-32-64(137)33-27-61/h26-37,54-60,67-80,82-83,135-139H,13-25,38-53,105-108H2,1-12H3,(H2,109,140)(H2,110,141)(H,117,142)(H,118,146)(H,119,153)(H,120,149)(H,121,148)(H,122,154)(H,123,157)(H,124,147)(H,125,152)(H,126,158)(H,127,159)(H,128,145)(H,129,155)(H,130,151)(H,131,150)(H,132,156)(H,133,144)(H,134,143)(H4,111,112,115)(H4,113,114,116)/t58-,59-,60-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,82-,83-/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Université Libre de Bruxelles

Curated by PDSP Ki Database




Neuropharmacology 33: 1189-95 (1994)


Article DOI: 10.1002/cbic.201402512
BindingDB Entry DOI: 10.7270/Q2251GP3
More data for this
Ligand-Target Pair