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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50280989'   
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
EDNRB


(RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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PC cid
PC sid
UniChem
Article
n/an/a 295n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin B receptor in rat cerebellum membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair