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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 1' and Ligand = 'BDBM50281777'   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM50281777
PNG
(Ac-RHYINLITRQRY | CHEMBL266077)
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](CCCNC(N)=N)NC(C)=O)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](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C75H119N25O19/c1-9-38(5)58(98-68(114)52(31-42-17-21-45(103)22-18-42)94-65(111)53(33-44-35-84-36-88-44)95-61(107)47(89-41(8)102)14-11-27-85-73(78)79)69(115)96-54(34-57(77)106)66(112)93-51(30-37(3)4)67(113)99-59(39(6)10-2)70(116)100-60(40(7)101)71(117)92-49(16-13-29-87-75(82)83)62(108)91-50(25-26-56(76)105)64(110)90-48(15-12-28-86-74(80)81)63(109)97-55(72(118)119)32-43-19-23-46(104)24-20-43/h17-24,35-40,47-55,58-60,101,103-104H,9-16,25-34H2,1-8H3,(H2,76,105)(H2,77,106)(H,84,88)(H,89,102)(H,90,110)(H,91,108)(H,92,117)(H,93,112)(H,94,111)(H,95,107)(H,96,115)(H,97,109)(H,98,114)(H,99,113)(H,100,116)(H,118,119)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1
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Similars

Article
n/an/a 3.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against human neuropeptide Y1 receptor expressing SK-N-MC cells


Bioorg Med Chem Lett 3: 937-942 (1993)


Article DOI: 10.1016/S0960-894X(00)80696-4
BindingDB Entry DOI: 10.7270/Q2H9954N
More data for this
Ligand-Target Pair