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Compile Data Set for Download or QSAR

Found 1233 hits with Last Name = 'lachapelle' and Initial = 'ea'   
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
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285634
PNG
(3-(4-chloro-3,5-difluoro-phenyl)-N-cyclopropyl-imi...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.488n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285634
PNG
(3-(4-chloro-3,5-difluoro-phenyl)-N-cyclopropyl-imi...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.488n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.669n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<0.669n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM312935
PNG
(N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2coc(CF)n2)cs1 |c:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9605007 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ133S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM312938
PNG
(N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccn(n2)C(F)F)cs1 |c:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9605007 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ133S
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM223358
PNG
(US9315520, Comparator 7 | US9605007, Comparator 7 ...)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:5|
Show InChI InChI=1S/C20H20ClFN4O2S/c1-11-6-12-9-29-19(23)26-20(12,10-28-11)15-7-14(3-4-16(15)22)25-18(27)17-5-2-13(21)8-24-17/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,23,26)(H,25,27)/t11-,12-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9744173 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM223358
PNG
(US9315520, Comparator 7 | US9605007, Comparator 7 ...)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:5|
Show InChI InChI=1S/C20H20ClFN4O2S/c1-11-6-12-9-29-19(23)26-20(12,10-28-11)15-7-14(3-4-16(15)22)25-18(27)17-5-2-13(21)8-24-17/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,23,26)(H,25,27)/t11-,12-,20-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...


US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM223358
PNG
(US9315520, Comparator 7 | US9605007, Comparator 7 ...)
Show SMILES [H][C@]12CSC(N)=N[C@]1(CO[C@@H](C)C2)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:5|
Show InChI InChI=1S/C20H20ClFN4O2S/c1-11-6-12-9-29-19(23)26-20(12,10-28-11)15-7-14(3-4-16(15)22)25-18(27)17-5-2-13(21)8-24-17/h2-5,7-8,11-12H,6,9-10H2,1H3,(H2,23,26)(H,25,27)/t11-,12-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9605007 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ133S
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285537
PNG
(3-(4-chloro-3-fluoro-phenyl)-N-cyclopropyl-imidazo...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285537
PNG
(3-(4-chloro-3-fluoro-phenyl)-N-cyclopropyl-imidazo...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285634
PNG
(3-(4-chloro-3,5-difluoro-phenyl)-N-cyclopropyl-imi...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.59n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285634
PNG
(3-(4-chloro-3,5-difluoro-phenyl)-N-cyclopropyl-imi...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.59n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285538
PNG
(N-cyclopropyl-3-(3,4-di-chlorophenyl)imidazo[1,2-b...)
Show SMILES Clc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285538
PNG
(N-cyclopropyl-3-(3,4-di-chlorophenyl)imidazo[1,2-b...)
Show SMILES Clc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.89n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.89n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285572
PNG
(3-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1 |r|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.97n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285572
PNG
(3-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.97n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM223381
PNG
(US9315520, 96 | US9605007, Example 96 | US9744173,...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 |r,c:7|
Show InChI InChI=1/C17H20F2N6O2S2/c1-8-4-25(15(18)19)24-12(8)13(26)21-11-6-28-14(22-11)17-7-27-9(2)3-10(17)5-29-16(20)23-17/h4,6,9-10,15H,3,5,7H2,1-2H3,(H2,20,23)(H,21,26)/t9-,10-,17-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9744173 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM223381
PNG
(US9315520, 96 | US9605007, Example 96 | US9744173,...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 |r,c:7|
Show InChI InChI=1/C17H20F2N6O2S2/c1-8-4-25(15(18)19)24-12(8)13(26)21-11-6-28-14(22-11)17-7-27-9(2)3-10(17)5-29-16(20)23-17/h4,6,9-10,15H,3,5,7H2,1-2H3,(H2,20,23)(H,21,26)/t9-,10-,17-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9605007 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ133S
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM223381
PNG
(US9315520, 96 | US9605007, Example 96 | US9744173,...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2C)C(F)F)cs1 |r,c:7|
Show InChI InChI=1/C17H20F2N6O2S2/c1-8-4-25(15(18)19)24-12(8)13(26)21-11-6-28-14(22-11)17-7-27-9(2)3-10(17)5-29-16(20)23-17/h4,6,9-10,15H,3,5,7H2,1-2H3,(H2,20,23)(H,21,26)/t9-,10-,17-/s2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...


US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4C


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.35n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.35n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.77n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285534
PNG
(3-(4-Chloro-3-fluorophenyl)-N-(1-methyl-1H-pyrazol...)
Show SMILES Cn1cc(NC(=O)c2nc3cccnn3c2-c2ccc(Cl)c(F)c2)cn1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.77n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.82n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285598
PNG
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.82n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285572
PNG
(3-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1 |r|
PDB

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UniChem
US Patent
n/an/a 2.91n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285572
PNG
(3-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-fluorocyc...)
Show SMILES F[C@H]1C[C@H]1NC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1 |r|
PDB
MMDB

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US Patent
n/an/a 2.91n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM312936
PNG
(US9605007, Comparator 3 | US9744173, Comparator 4)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9605007 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ133S
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM223398
PNG
(US9315520, Comparator 2 | US9315520, Comparator 3 ...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
Show InChI InChI=1/C20H20F3N5O3S/c1-10-6-11-8-32-19(24)28-20(11,9-30-10)16-13(21)3-5-15(26-16)27-17(29)14-4-2-12(7-25-14)31-18(22)23/h2-5,7,10-11,18H,6,8-9H2,1H3,(H2,24,28)(H,26,27,29)/t10-,11-,20-/s2
PDB

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n/an/a 3n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...


US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM312936
PNG
(US9605007, Comparator 3 | US9744173, Comparator 4)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1cc(NC(=O)c2ccc(OC(F)F)cn2)ccc1F |r,c:7|
PDB
MMDB

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US Patent
n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9744173 (2017)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285568
PNG
(N-cyclopropyl-3-(3-fluoro-4-methylphenyl)imidazo[1...)
Show SMILES Cc1ccc(cc1F)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

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US Patent
n/an/a 3.13n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285568
PNG
(N-cyclopropyl-3-(3-fluoro-4-methylphenyl)imidazo[1...)
Show SMILES Cc1ccc(cc1F)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.13n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285556
PNG
(3-(4-chloro-3-fluorophenyl)-N-propylimidazo[1,2-b]...)
Show SMILES CCCNC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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US Patent
n/an/a 3.48n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285556
PNG
(3-(4-chloro-3-fluorophenyl)-N-propylimidazo[1,2-b]...)
Show SMILES CCCNC(=O)c1nc2cccnn2c1-c1ccc(Cl)c(F)c1
PDB

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n/an/a 3.48n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285537
PNG
(3-(4-chloro-3-fluoro-phenyl)-N-cyclopropyl-imidazo...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285537
PNG
(3-(4-chloro-3-fluoro-phenyl)-N-cyclopropyl-imidazo...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
PDB

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n/an/a 3.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A isoform 3


(Homo sapiens (Human))
BDBM285536
PNG
(3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropylimida...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1Cl |(8.76,-6.6,;7.27,-7,;6.88,-8.49,;5.39,-8.89,;4.99,-10.38,;5.89,-11.62,;4.99,-12.87,;3.52,-12.39,;2.19,-13.16,;.86,-12.39,;.86,-10.85,;2.19,-10.08,;3.52,-10.85,;7.44,-11.62,;8.21,-10.29,;8.21,-12.96,;9.75,-12.96,;11.08,-13.73,;11.08,-12.19,;4.3,-7.8,;2.81,-8.2,;4.7,-6.31,;6.19,-5.91,;6.58,-4.43,)|
PDB

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n/an/a 3.83n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285536
PNG
(3-(4-Chloro-2,5-difluorophenyl)-N-cyclopropylimida...)
Show SMILES Fc1cc(-c2c(nc3cccnn23)C(=O)NC2CC2)c(F)cc1Cl |(8.76,-6.6,;7.27,-7,;6.88,-8.49,;5.39,-8.89,;4.99,-10.38,;5.89,-11.62,;4.99,-12.87,;3.52,-12.39,;2.19,-13.16,;.86,-12.39,;.86,-10.85,;2.19,-10.08,;3.52,-10.85,;7.44,-11.62,;8.21,-10.29,;8.21,-12.96,;9.75,-12.96,;11.08,-13.73,;11.08,-12.19,;4.3,-7.8,;2.81,-8.2,;4.7,-6.31,;6.19,-5.91,;6.58,-4.43,)|
PDB
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KEGG

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n/an/a 3.83n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285574
PNG
(US10077269, Example 47 | US9598421, Example 47 | a...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)N1CCC1
PDB

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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285574
PNG
(US10077269, Example 47 | US9598421, Example 47 | a...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)N1CCC1
PDB

UniProtKB/SwissProt

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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
Phosphodiesterase 4B (PDE4B)


(Homo sapiens (Human))
BDBM285571
PNG
(3-(4-chloro-3-fluorophenyl)-N-(2,2-difluorocyclopr...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1(F)F
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 3.92n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9598421 (2017)


BindingDB Entry DOI: 10.7270/Q2K939KG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM285571
PNG
(3-(4-chloro-3-fluorophenyl)-N-(2,2-difluorocyclopr...)
Show SMILES Fc1cc(ccc1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1(F)F
PDB

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US Patent
n/an/a 3.92n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US10077269 (2018)


BindingDB Entry DOI: 10.7270/Q2P84DX5
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM336258
PNG
(N-{2-[(4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 |r,c:16|
PDB
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KEGG

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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9744173 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM312941
PNG
(N-{2-[(4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetra...)
Show SMILES C[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 |c:7|
PDB
MMDB

KEGG

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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

US Patent




US Patent US9605007 (2017)


BindingDB Entry DOI: 10.7270/Q2JQ133S
More data for this
Ligand-Target Pair
Beta-secretase 1 (BACE1)


(Homo sapiens (Human))
BDBM223412
PNG
(US9315520, 6)
Show SMILES C[C@H]1C[C@H]2CSC(N)=NC2(CO1)c1nc(NC(=O)c2nn(cc2Cl)C(F)F)cs1 |c:7|
Show InChI InChI=1S/C16H17ClF2N6O2S2/c1-7-2-8-4-29-15(20)23-16(8,6-27-7)13-22-10(5-28-13)21-12(26)11-9(17)3-25(24-11)14(18)19/h3,5,7-8,14H,2,4,6H2,1H3,(H2,20,23)(H,21,26)/t7-,8-,16?/m0/s1
PDB

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n/an/a 4n/an/an/an/a4.537



Pfizer Inc.

US Patent


Assay Description
The substrate is Biotin-GLTNIKTEEISEISY^EVEFR-C[Oregon Green]KK-OH. The BACE1 enzyme is affinity purified material from conditioned media of CHO-K1 c...


US Patent US9315520 (2016)


BindingDB Entry DOI: 10.7270/Q20000Z5
More data for this
Ligand-Target Pair
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