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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 8258   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (human))
BDBM196504
PNG
(US9212140, C.1)
Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClNO2/c1-15-3-4-17(16-5-7-18(24)8-6-16)13-20(15)21-14-23(25-22(21)26)11-9-19(27-2)10-12-23/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,26)/t19-,23+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 84n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...


US Patent US9212140 (2015)


BindingDB Entry DOI: 10.7270/Q22Z14BD
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (human))
BDBM196503
PNG
(US9212140, A)
Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C23H23ClFNO3/c1-13-3-4-14(15-5-6-18(24)19(25)12-15)11-17(13)20-21(27)23(26-22(20)28)9-7-16(29-2)8-10-23/h3-6,11-12,16,27H,7-10H2,1-2H3,(H,26,28)/t16-,23+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 102n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...


US Patent US9212140 (2015)


BindingDB Entry DOI: 10.7270/Q22Z14BD
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (human))
BDBM196503
PNG
(US9212140, A)
Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1
Show InChI InChI=1S/C23H23ClFNO3/c1-13-3-4-14(15-5-6-18(24)19(25)12-15)11-17(13)20-21(27)23(26-22(20)28)9-7-16(29-2)8-10-23/h3-6,11-12,16,27H,7-10H2,1-2H3,(H,26,28)/t16-,23+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 129n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Assay A1 (=(A1)): The inhibitory activity of the substances of this invention with regard to acetyl-CoA carboxylase 1 (ACC1) was measured using the A...


US Patent US9212140 (2015)


BindingDB Entry DOI: 10.7270/Q22Z14BD
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (human))
BDBM196504
PNG
(US9212140, C.1)
Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H24ClNO2/c1-15-3-4-17(16-5-7-18(24)8-6-16)13-20(15)21-14-23(25-22(21)26)11-9-19(27-2)10-12-23/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,26)/t19-,23+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 280n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Assay A1 (=(A1)): The inhibitory activity of the substances of this invention with regard to acetyl-CoA carboxylase 1 (ACC1) was measured using the A...


US Patent US9212140 (2015)


BindingDB Entry DOI: 10.7270/Q22Z14BD
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (human))
BDBM196505
PNG
(US9212140, C.2)
Show SMILES COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO2/c1-14-3-4-15(16-5-6-20(24)21(25)12-16)11-18(14)19-13-23(26-22(19)27)9-7-17(28-2)8-10-23/h3-6,11-13,17H,7-10H2,1-2H3,(H,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 327n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Assay A1 (=(A1)): The inhibitory activity of the substances of this invention with regard to acetyl-CoA carboxylase 1 (ACC1) was measured using the A...


US Patent US9212140 (2015)


BindingDB Entry DOI: 10.7270/Q22Z14BD
More data for this
Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1)


(Homo sapiens (human))
BDBM196505
PNG
(US9212140, C.2)
Show SMILES COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO2/c1-14-3-4-15(16-5-6-20(24)21(25)12-16)11-18(14)19-13-23(26-22(19)27)9-7-17(28-2)8-10-23/h3-6,11-13,17H,7-10H2,1-2H3,(H,26,27)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 428n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...


US Patent US9212140 (2015)


BindingDB Entry DOI: 10.7270/Q22Z14BD
More data for this
Ligand-Target Pair