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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'PACAP' and Ligand = 'BDBM82449'   
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)
BDBM82449
PNG
(PACAP(11-27))
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](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/C92H158N28O21S/c1-48(2)43-67(74(98)125)115-90(141)73(51(7)8)120-76(127)53(10)105-75(126)52(9)107-86(137)68(44-49(3)4)116-88(139)70(46-56-28-32-58(123)33-29-56)118-83(134)61(22-14-17-38-94)110-81(132)62(23-15-18-39-95)114-89(140)72(50(5)6)119-77(128)54(11)106-79(130)66(36-42-142-12)113-85(136)65(34-35-71(97)124)112-80(131)60(21-13-16-37-93)109-82(133)64(25-20-41-104-92(101)102)111-87(138)69(45-55-26-30-57(122)31-27-55)117-84(135)63(24-19-40-103-91(99)100)108-78(129)59(96)47-121/h26-33,48-54,59-70,72-73,121-123H,13-25,34-47,93-96H2,1-12H3,(H2,97,124)(H2,98,125)(H,105,126)(H,106,130)(H,107,137)(H,108,129)(H,109,133)(H,110,132)(H,111,138)(H,112,131)(H,113,136)(H,114,140)(H,115,141)(H,116,139)(H,117,135)(H,118,134)(H,119,128)(H,120,127)(H4,99,100,103)(H4,101,102,104)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-,73-/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+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