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Patent code US10196353

Compile Data Set for Download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM332408
PNG
(US10196353, Example 52)
Show SMILES C[C@@H](n1ccc2c(Cl)c(ccc12)C#N)[C@](C)(O)C(F)(F)F
Show InChI InChI=1S/C14H12ClF3N2O/c1-8(13(2,21)14(16,17)18)20-6-5-10-11(20)4-3-9(7-19)12(10)15/h3-6,8,21H,1-2H3/t8-,13+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332406
PNG
(US10196353, Example 32)
Show SMILES C[C@H](n1ccc2c(Cl)c(ccc12)C#N)C(C)(C)O
Show InChI InChI=1S/C14H15ClN2O/c1-9(14(2,3)18)17-7-6-11-12(17)5-4-10(8-16)13(11)15/h4-7,9,18H,1-3H3/t9-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 31.6n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332405
PNG
(US10196353, Example 27)
Show SMILES C[C@H](CS(C)(=O)=O)n1ccc2c(c(ccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2S/c1-9(8-22(2,20)21)19-6-5-11-12(19)4-3-10(7-18)13(11)14(15,16)17/h3-6,9H,8H2,1-2H3/t9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332402
PNG
(US10196353, Example 17)
Show SMILES CSCC(C)n1c(cc2c(C#N)c(ccc12)C#N)C(F)F
Show InChI InChI=1S/C15H13F2N3S/c1-9(8-21-2)20-13-4-3-10(6-18)12(7-19)11(13)5-14(20)15(16)17/h3-5,9,15H,8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 79.4n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332052
PNG
(US10196353, Example 2)
Show SMILES CCC(C(=O)OC)n1c(C)cc2c(c(ccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O2/c1-4-12(15(22)23-3)21-9(2)7-11-13(21)6-5-10(8-20)14(11)16(17,18)19/h5-7,12H,4H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332404
PNG
(US10196353, Example 22)
Show SMILES C[C@@H](n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C15H15F3N2O/c1-9(14(2,3)21)20-7-6-11-12(20)5-4-10(8-19)13(11)15(16,17)18/h4-7,9,21H,1-3H3/t9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332401
PNG
(US10196353, Example 12)
Show SMILES CCCc1cc2c(c(ccc2n1CC(C)(C)O)C#N)C(F)(F)F
Show InChI InChI=1S/C17H19F3N2O/c1-4-5-12-8-13-14(22(12)10-16(2,3)23)7-6-11(9-21)15(13)17(18,19)20/h6-8,23H,4-5,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332403
PNG
(US10196353, Example 21)
Show SMILES CC(n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O
Show InChI InChI=1S/C15H15F3N2O/c1-9(14(2,3)21)20-7-6-11-12(20)5-4-10(8-19)13(11)15(16,17)18/h4-7,9,21H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332400
PNG
(US10196353, Example 7)
Show SMILES CC(CO)n1c(C)cc2c(c(ccc12)C#N)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O/c1-8-5-11-12(19(8)9(2)7-20)4-3-10(6-18)13(11)14(15,16)17/h3-5,9,20H,7H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM332407
PNG
(US10196353, Example 43)
Show SMILES CC(C)(O)C(C)(C)n1ccc2c(C#N)c(ccc12)C#N
Show InChI InChI=1S/C16H17N3O/c1-15(2,16(3,4)20)19-8-7-12-13(10-18)11(9-17)5-6-14(12)19/h5-8,20H,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline Intellectual Property (No 2) Limited

US Patent


Assay Description
Compounds are added to the 384 well black low-volume plates to a final volume of 0.1 μL. DTT and DMSO are added to the chilled assay buffer just...


US Patent US10196353 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%