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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Angiopoietin-1 receptor [776-1124]' and Ligand = 'BDBM239656'   
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
Angiopoietin-1 receptor [776-1124]


(Homo sapiens (Human))
BDBM239656
PNG
(US9394309, 112)
Show SMILES COCc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1cc(c(C)cc1C)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H24F5N5O2S/c1-17-9-18(2)25(36-7-8-37-26(36)14-24(35-37)20-5-4-6-33-15-20)13-23(17)34-27(38)21-10-19(16-39-3)11-22(12-21)40(28,29,30,31)32/h4-15H,16H2,1-3H3,(H,34,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft; Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor [776-1124]


(Homo sapiens (Human))
BDBM239656
PNG
(US9394309, 112)
Show SMILES COCc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1cc(c(C)cc1C)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H24F5N5O2S/c1-17-9-18(2)25(36-7-8-37-26(36)14-24(35-37)20-5-4-6-33-15-20)13-23(17)34-27(38)21-10-19(16-39-3)11-22(12-21)40(28,29,30,31)32/h4-15H,16H2,1-3H3,(H,34,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/a9.64



Bayer Pharma Aktiengesellschaft; Bayer Intellectual Property GmbH

US Patent


Assay Description
For measuring the autophosphorylation of the endogenous Tie2 receptor in the cell lysates prepared, a self-prepared anti-Tie2 antibody directed again...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair