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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 10 entry = 50018314   
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
Type-2 angiotensin II receptor


(RAT)
BDBM50421796
PNG
(CHEMBL5286105)
Show SMILES Nc1ncc(Cc2cc(I)c(O)c(I)c2)c(N)n1
Show InChI InChI=1S/C11H10I2N4O/c12-7-2-5(3-8(13)9(7)18)1-6-4-16-11(15)17-10(6)14/h2-4,18H,1H2,(H4,14,15,16,17)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50421795
PNG
(CHEMBL5274111)
Show SMILES CCC(C)c1cc(Cc2cnc(N)nc2N)cc(CC)c1N
Show InChI InChI=1S/C17H25N5/c1-4-10(3)14-8-11(6-12(5-2)15(14)18)7-13-9-21-17(20)22-16(13)19/h6,8-10H,4-5,7,18H2,1-3H3,(H4,19,20,21,22)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

1.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Type-2 angiotensin II receptor


(RAT)
BDBM50421797
PNG
(CHEMBL5286767)
Show SMILES Nc1ncc(Cc2cc(I)c(OCCCOc3ccccc3)c(I)c2)c(N)n1
Show InChI InChI=1S/C20H20I2N4O2/c21-16-10-13(9-14-12-25-20(24)26-19(14)23)11-17(22)18(16)28-8-4-7-27-15-5-2-1-3-6-15/h1-3,5-6,10-12H,4,7-9H2,(H4,23,24,25,26)
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

3.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair