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Compile Data Set for Download or QSAR

Found 1042 hits with Last Name = 'paone' and Initial = 'dv'   
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
Calcitonin receptor-like receptor (CLR)


(Homo sapiens (Human))
BDBM362044
PNG
(US10272077, Example 4 | US9833448, Example 4)
PDB
MMDB

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0.0150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9833448 (2017)

More data for this
Ligand-Target Pair
CGRP type 1 receptor


(Homo sapiens (Human))
BDBM362044
PNG
(US10272077, Example 4 | US9833448, Example 4)
PDB

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Article
0.0150n/an/an/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320811
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CCC(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0160n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
CGRP type 1 receptor


(Homo sapiens (Human))
BDBM362171
PNG
(US10272077, Example 5 | US9833448, Example 5)
PDB

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0.0170n/an/an/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Calcitonin receptor-like receptor (CLR)


(Homo sapiens (Human))
BDBM362171
PNG
(US10272077, Example 5 | US9833448, Example 5)
PDB
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0.0170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9833448 (2017)

More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320946
PNG
((R)- or (S)-1- (Cyclopropyl(4-(1,1- difluoroethyl)...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(c(F)c1)C(C)(F)F
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0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320813
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320712
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-2-fluorop...)
Show SMILES CC(C)C(c1ccc(cc1F)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320811
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CCC(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB

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0.0270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320944
PNG
((R)- or (S)-1-(1-(4- (difluoromethyl)-2- fluorophe...)
Show SMILES CCC(c1ccc(cc1F)C(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320813
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-3- fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB

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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320801
PNG
((R)- or (S)-l-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342639
PNG
(CHEMBL1770729 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CC1(CCCO1)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21 |r|
Show InChI InChI=1S/C31H34F2N6O4/c1-30(10-4-16-42-30)24-17-35-27-23(9-8-19(18-39(24)27)20-5-2-7-22(32)25(20)33)36-28(40)38-14-11-31(12-15-38)21-6-3-13-34-26(21)37-29(41)43-31/h2-3,5-7,13,17,19,23H,4,8-12,14-16,18H2,1H3,(H,36,40)(H,34,37,41)/t19-,23-,30?/m1/s1
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0.0360n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320712
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-2-fluorop...)
Show SMILES CC(C)C(c1ccc(cc1F)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
PDB

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US Patent
0.0360n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320799
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)pro...)
Show SMILES CCC(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0380n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342638
PNG
(CHEMBL1770728 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CCC(CC)(OC)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21 |r|
Show InChI InChI=1S/C32H38F2N6O4/c1-4-31(5-2,43-3)25-18-36-28-24(12-11-20(19-40(25)28)21-8-6-10-23(33)26(21)34)37-29(41)39-16-13-32(14-17-39)22-9-7-15-35-27(22)38-30(42)44-32/h6-10,15,18,20,24H,4-5,11-14,16-17,19H2,1-3H3,(H,37,41)(H,35,38,42)/t20-,24-/m1/s1
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0.0390n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342625
PNG
(CHEMBL1770715 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O |r|
Show InChI InChI=1S/C30H35F2N7O3/c1-30(2,42-3)24-16-34-27-22(10-9-18(17-38(24)27)20-6-4-7-21(31)25(20)32)35-28(40)37-14-11-19(12-15-37)39-23-8-5-13-33-26(23)36-29(39)41/h4-8,13,16,18-19,22H,9-12,14-15,17H2,1-3H3,(H,35,40)(H,33,36,41)/t18-,22-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320732
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
PDB

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US Patent
0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320726
PNG
((R)- or (S)-6-(Dimethylamino)- 1-(1-(2-fluoro-4- (...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320795
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0410n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320797
PNG
((R)- or (S)-1-(Cyclopropyl(2-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
PDB
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0.0420n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320801
PNG
((R)- or (S)-l-(1-(4-(1,1- Difluoroethyl)phenyl)-2-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB

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0.0430n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320670
PNG
((R)- or (S)-6-(Dimethylamino)-3- (hydroxymethyl)-1...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320817
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB
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0.0440n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320809
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-2- fluorop...)
Show SMILES CCC(c1ccc(cc1F)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB
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0.0450n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320815
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
PDB
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0.0460n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320770
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320728
PNG
((R)- or (S)-1-(Cyclopropyl(2- fluoro-4- (trifluoro...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
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0.0470n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320793
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(2- fluoro-4-(t...)
Show SMILES CCC(c1ccc(cc1F)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320789
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)phenyl)eth...)
Show SMILES CC(c1ccc(cc1)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320728
PNG
((R)- or (S)-1-(Cyclopropyl(2- fluoro-4- (trifluoro...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320809
PNG
((R)- or (S)-1-(1-(4-(1,1-Difluoroethyl)-2- fluorop...)
Show SMILES CCC(c1ccc(cc1F)C(C)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320948
PNG
((R)- or (S)-1- (Cyclopropyl(4-(1,1- difluoroethyl)...)
Show SMILES CN(C)c1nc2n(nc(CO)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(C)(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342636
PNG
(CHEMBL1770726 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES CCOC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21 |r|
Show InChI InChI=1S/C31H36F2N6O4/c1-4-42-30(2,3)24-17-35-27-23(11-10-19(18-39(24)27)20-7-5-9-22(32)25(20)33)36-28(40)38-15-12-31(13-16-38)21-8-6-14-34-26(21)37-29(41)43-31/h5-9,14,17,19,23H,4,10-13,15-16,18H2,1-3H3,(H,36,40)(H,34,37,41)/t19-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50342634
PNG
(CHEMBL1770724 | N-((6S,9R)-6-(2,3-difluorophenyl)-...)
Show SMILES COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)OC(=O)Nc1ncccc21 |r|
Show InChI InChI=1S/C30H34F2N6O4/c1-29(2,41-3)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-27(39)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36-28(40)42-30/h4-8,13,16,18,22H,9-12,14-15,17H2,1-3H3,(H,35,39)(H,33,36,40)/t18-,22-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 21: 2683-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.054
BindingDB Entry DOI: 10.7270/Q2VM4CK8
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320807
PNG
((R)- or (S)-1-(Cyclopropyl(4-(1,1- difluoroethyl)p...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1)C(C)(F)F
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0.0530n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320670
PNG
((R)- or (S)-6-(Dimethylamino)-3- (hydroxymethyl)-1...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0540n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
CGRP type 1 receptor


(Homo sapiens (Human))
BDBM381649
PNG
(US10272077, Example 17)
PDB

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Article
0.0550n/an/an/an/an/an/an/an/a



GlaxoSmithKline





J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
More data for this
Ligand-Target Pair
Calcitonin receptor-like receptor (CLR)


(Homo sapiens (Human))
BDBM362174
PNG
(US9833448, Example 17)
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Merck Sharp & Dohme Corp.

US Patent




US Patent US9833448 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320706
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3- fluoro...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0550n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320756
PNG
(US10174037, Example 162 | US10174037, Example 163)
Show SMILES CC(C)[C@@H](c1ccc(cc1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C |r|
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0.0560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320706
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3- fluoro...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0570n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320797
PNG
((R)- or (S)-1-(Cyclopropyl(2-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(cc1F)C(F)(F)F
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320770
PNG
((R)- or (S)-6-(Dimethylamino)-3- (fluoromethyl)-1-...)
Show SMILES CC(C)C(c1ccc(cc1)C(C)C)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM320774
PNG
((R)- or (S)-1-(Cyclopropyl(3-fluoro-4- (trifluorom...)
Show SMILES CN(C)c1nc2n(nc(CF)c2c(=O)[nH]1)C(C1CC1)c1ccc(c(F)c1)C(F)(F)F
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320726
PNG
((R)- or (S)-6-(Dimethylamino)- 1-(1-(2-fluoro-4- (...)
Show SMILES CC(C)C(c1ccc(cc1F)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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0.0590n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320817
PNG
((R)- or (S)-6-(Dimethylamino)-1-(1-(3- fluoro-4-(t...)
Show SMILES CCC(c1ccc(c(F)c1)C(F)(F)F)n1nc(CF)c2c1nc([nH]c2=O)N(C)C
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0.0630n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM320710
PNG
((R)- or (S)-1-(1-(4-(1,1- Difluoroethyl)-3-fluorop...)
Show SMILES CC(C)C(c1ccc(c(F)c1)C(F)(F)F)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10174037 (2019)


BindingDB Entry DOI: 10.7270/Q29K4DB7
More data for this
Ligand-Target Pair
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