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Compile Data Set for Download or QSAR

Found 848 hits with Last Name = 'fraley' and Initial = 'me'   
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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112665
PNG
(US8623863, 2-8)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-24(30-27-11-12-28-30)22(13-17)25(31)29-15-20(6-4-5-19(29)3)16-32-21-8-9-23(26)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112672
PNG
(US8623863, 3-5)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1
Show InChI InChI=1S/C24H26FN3O2S/c1-16-6-8-20(23-26-10-11-31-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-30-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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3.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112669
PNG
(US8623863, 3-2)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1nccs1
Show InChI InChI=1S/C26H29FN2O2S/c1-17-7-9-22(25-28-11-12-32-25)23(13-17)26(30)29-15-20(6-4-5-19(29)3)16-31-21-8-10-24(27)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112674
PNG
(US8623863, 3-8)
Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O3/c1-16-4-7-23(29-26-8-9-27-29)21(10-16)24(30)28-12-19(14-31-13-18(28)3)15-32-20-5-6-22(25)17(2)11-20/h4-11,18-19H,12-15H2,1-3H3
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5.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112664
PNG
(US8623863, 1-8)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCCC(COc2ccc(F)c(C)c2)C1)-n1nccn1
Show InChI InChI=1S/C24H27FN4O2/c1-17-6-9-23(29-26-10-11-27-29)21(13-17)24(30)28-12-4-3-5-19(15-28)16-31-20-7-8-22(25)18(2)14-20/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112665
PNG
(US8623863, 2-8)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C25H29FN4O2/c1-17-7-10-24(30-27-11-12-28-30)22(13-17)25(31)29-15-20(6-4-5-19(29)3)16-32-21-8-9-23(26)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3
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8.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112674
PNG
(US8623863, 3-8)
Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O3/c1-16-4-7-23(29-26-8-9-27-29)21(10-16)24(30)28-12-19(14-31-13-18(28)3)15-32-20-5-6-22(25)17(2)11-20/h4-11,18-19H,12-15H2,1-3H3
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8.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112667
PNG
(US8623863, 2-10)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C23H26FN5O2/c1-16-6-8-21(29-26-10-11-27-29)20(12-16)23(30)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(24)13-25-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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9.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112666
PNG
(US8623863, 2-9)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112670
PNG
(US8623863, 3-3)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C27H30FN3O2/c1-18-8-10-23(26-29-12-5-13-30-26)24(14-18)27(32)31-16-21(7-4-6-20(31)3)17-33-22-9-11-25(28)19(2)15-22/h5,8-15,20-21H,4,6-7,16-17H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112675
PNG
(US8623863, 4-9)
Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112671
PNG
(US8623863, 3-4)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncco1
Show InChI InChI=1S/C24H26FN3O3/c1-16-6-8-20(23-26-10-11-30-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112673
PNG
(US8623863, 3-6)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112664
PNG
(US8623863, 1-8)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCCCC(COc2ccc(F)c(C)c2)C1)-n1nccn1
Show InChI InChI=1S/C24H27FN4O2/c1-17-6-9-23(29-26-10-11-27-29)21(13-17)24(30)28-12-4-3-5-19(15-28)16-31-20-7-8-22(25)18(2)14-20/h6-11,13-14,19H,3-5,12,15-16H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM112668
PNG
(US8623863, 2-11)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H24FN5O2/c1-16-5-4-6-17(15-30-21-10-9-18(23)13-24-21)14-27(16)22(29)19-7-2-3-8-20(19)28-25-11-12-26-28/h2-3,7-13,16-17H,4-6,14-15H2,1H3
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28n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112669
PNG
(US8623863, 3-2)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1nccs1
Show InChI InChI=1S/C26H29FN2O2S/c1-17-7-9-22(25-28-11-12-32-25)23(13-17)26(30)29-15-20(6-4-5-19(29)3)16-31-21-8-10-24(27)18(2)14-21/h7-14,19-20H,4-6,15-16H2,1-3H3
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29n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112675
PNG
(US8623863, 4-9)
Show SMILES CC1COCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H25FN4O3/c1-16-11-19(7-8-21(16)24)31-15-18-12-27(17(2)13-30-14-18)23(29)20-5-3-4-6-22(20)28-25-9-10-26-28/h3-11,17-18H,12-15H2,1-2H3
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39n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112670
PNG
(US8623863, 3-3)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C27H30FN3O2/c1-18-8-10-23(26-29-12-5-13-30-26)24(14-18)27(32)31-16-21(7-4-6-20(31)3)17-33-22-9-11-25(28)19(2)15-22/h5,8-15,20-21H,4,6-7,16-17H2,1-3H3
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42n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112666
PNG
(US8623863, 2-9)
Show SMILES CC1CCCC(COc2ccc(F)c(C)c2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H27FN4O2/c1-17-14-20(10-11-22(17)25)31-16-19-7-5-6-18(2)28(15-19)24(30)21-8-3-4-9-23(21)29-26-12-13-27-29/h3-4,8-14,18-19H,5-7,15-16H2,1-2H3
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50n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112672
PNG
(US8623863, 3-5)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1nccs1
Show InChI InChI=1S/C24H26FN3O2S/c1-16-6-8-20(23-26-10-11-31-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-30-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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73n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112671
PNG
(US8623863, 3-4)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncco1
Show InChI InChI=1S/C24H26FN3O3/c1-16-6-8-20(23-26-10-11-30-23)21(12-16)24(29)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(25)13-27-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112667
PNG
(US8623863, 2-10)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C23H26FN5O2/c1-16-6-8-21(29-26-10-11-27-29)20(12-16)23(30)28-14-18(5-3-4-17(28)2)15-31-22-9-7-19(24)13-25-22/h6-13,17-18H,3-5,14-15H2,1-2H3
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150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112668
PNG
(US8623863, 2-11)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H24FN5O2/c1-16-5-4-6-17(15-30-21-10-9-18(23)13-24-21)14-27(16)22(29)19-7-2-3-8-20(19)28-25-11-12-26-28/h2-3,7-13,16-17H,4-6,14-15H2,1H3
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190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Orexin receptor type 1 (OX1)


(Rattus norvegicus (Rat))
BDBM112673
PNG
(US8623863, 3-6)
Show SMILES CC1CCCC(COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C25H27FN4O2/c1-17-7-9-21(24-27-11-4-12-28-24)22(13-17)25(31)30-15-19(6-3-5-18(30)2)16-32-23-10-8-20(26)14-29-23/h4,7-14,18-19H,3,5-6,15-16H2,1-2H3
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310n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compound potency can be assessed by a radioligand binding assay (described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430) in which ...


US Patent US8623863 (2014)


BindingDB Entry DOI: 10.7270/Q2D21W8R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379643
PNG
(CHEMBL2011353)
Show SMILES CC(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1
Show InChI InChI=1S/C22H26N8O2S/c1-15(31)29-6-8-30(9-7-29)18-2-4-25-20(11-18)28-22-27-14-19(33-22)16-10-17(13-24-12-16)21(32)26-5-3-23/h2,4,10-14H,3,5-9,23H2,1H3,(H,26,32)(H,25,27,28)
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 2613-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.120
BindingDB Entry DOI: 10.7270/Q23B615X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379642
PNG
(CHEMBL2011352)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1
Show InChI InChI=1S/C21H26N8O3S2/c1-34(31,32)29-8-6-28(7-9-29)17-2-4-24-19(11-17)27-21-26-14-18(33-21)15-10-16(13-23-12-15)20(30)25-5-3-22/h2,4,10-14H,3,5-9,22H2,1H3,(H,25,30)(H,24,26,27)
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels


Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379642
PNG
(CHEMBL2011352)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1
Show InChI InChI=1S/C21H26N8O3S2/c1-34(31,32)29-8-6-28(7-9-29)17-2-4-24-19(11-17)27-21-26-14-18(33-21)15-10-16(13-23-12-15)20(30)25-5-3-22/h2,4,10-14H,3,5-9,22H2,1H3,(H,25,30)(H,24,26,27)
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n/an/a 0.0300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 2613-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.120
BindingDB Entry DOI: 10.7270/Q23B615X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379643
PNG
(CHEMBL2011353)
Show SMILES CC(=O)N1CCN(CC1)c1ccnc(Nc2ncc(s2)-c2cncc(c2)C(=O)NCCN)c1
Show InChI InChI=1S/C22H26N8O2S/c1-15(31)29-6-8-30(9-7-29)18-2-4-25-20(11-18)28-22-27-14-19(33-22)16-10-17(13-24-12-16)21(32)26-5-3-23/h2,4,10-14H,3,5-9,23H2,1H3,(H,26,32)(H,25,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels


Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379641
PNG
(CHEMBL2010809)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
Show InChI InChI=1S/C20H23N7O2S/c21-2-4-24-19(28)15-9-14(11-22-12-15)17-13-25-20(30-17)26-18-10-16(1-3-23-18)27-5-7-29-8-6-27/h1,3,9-13H,2,4-8,21H2,(H,24,28)(H,23,25,26)
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n/an/a 0.0500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels


Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379765
PNG
(CHEMBL2011354)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)(F)CC2)s1
Show InChI InChI=1S/C21H23F2N7OS/c22-21(23)2-7-30(8-3-21)16-1-5-26-18(10-16)29-20-28-13-17(32-20)14-9-15(12-25-11-14)19(31)27-6-4-24/h1,5,9-13H,2-4,6-8,24H2,(H,27,31)(H,26,28,29)
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n/an/a 0.0500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels


Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379763
PNG
(CHEMBL2011350)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCNCC2)s1
Show InChI InChI=1S/C20H24N8OS/c21-2-4-25-19(29)15-9-14(11-23-12-15)17-13-26-20(30-17)27-18-10-16(1-3-24-18)28-7-5-22-6-8-28/h1,3,9-13,22H,2,4-8,21H2,(H,25,29)(H,24,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of Chk1 in presence of higher ATP levels


Bioorg Med Chem Lett 22: 2609-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.110
BindingDB Entry DOI: 10.7270/Q22F7PFG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379652
PNG
(CHEMBL2013170)
Show SMILES NCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)(F)CC2)s1
Show InChI InChI=1S/C20H21F2N7OS/c21-20(22)2-5-29(6-3-20)15-1-4-25-17(8-15)28-19-26-11-16(31-19)13-7-14(10-24-9-13)18(30)27-12-23/h1,4,7-11H,2-3,5-6,12,23H2,(H,27,30)(H,25,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 2613-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.120
BindingDB Entry DOI: 10.7270/Q23B615X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379641
PNG
(CHEMBL2010809)
Show SMILES NCCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
Show InChI InChI=1S/C20H23N7O2S/c21-2-4-24-19(28)15-9-14(11-22-12-15)17-13-25-20(30-17)26-18-10-16(1-3-23-18)27-5-7-29-8-6-27/h1,3,9-13H,2,4-8,21H2,(H,24,28)(H,23,25,26)
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n/an/a 0.0500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 2613-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.120
BindingDB Entry DOI: 10.7270/Q23B615X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356152
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(5-oxo-2-...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3C(=O)NCCc3nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N5O2/c1-35-10-8-21(34-35)15-11-16(19(27)13-18(15)26(28,29)30)25(37)33-22-12-17-20(7-9-31-24(17)36)32-23(22)14-5-3-2-4-6-14/h2-6,8,10-13H,7,9H2,1H3,(H,31,36)(H,33,37)
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n/an/a 0.0690n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50379651
PNG
(CHEMBL2013169)
Show SMILES NCNC(=O)c1cncc(c1)-c1cnc(Nc2cc(ccn2)N2CCC(F)CC2)s1
Show InChI InChI=1S/C20H22FN7OS/c21-15-2-5-28(6-3-15)16-1-4-24-18(8-16)27-20-25-11-17(30-20)13-7-14(10-23-9-13)19(29)26-12-22/h1,4,7-11,15H,2-3,5-6,12,22H2,(H,26,29)(H,24,25,27)
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n/an/a 0.0700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 2613-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.120
BindingDB Entry DOI: 10.7270/Q23B615X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356096
PNG
(N-(2-((2,5-dioxoimidazolidin-1- yl)methyl)-4-pheny...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)CNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N7O3/c1-36-8-7-19(35-36)15-9-16(18(27)10-17(15)26(28,29)30)24(39)33-20-11-31-21(13-37-22(38)12-32-25(37)40)34-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,40)(H,33,39)
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n/an/a 0.0830n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM12133
PNG
(3-(Indol-2-yl)indazole 23 | [5-(3-{5-[(4-fluoropip...)
Show SMILES NCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
Show InChI InChI=1S/C24H25FN8/c25-17-5-7-33(8-6-17)13-14-1-4-19-16(9-14)11-21(27-19)24-18-3-2-15(10-20(18)28-30-24)23-22(12-26)29-32-31-23/h1-4,9-11,17,27H,5-8,12-13,26H2,(H,28,30)(H,29,31,32)
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n/an/a 0.110n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356095
PNG
(US9815846, Compound 95)
Show SMILES CN1CC(=O)N(Cc2ncc(NC(=O)c3cc(-c4ccn(C)n4)c(cc3F)C(F)(F)F)c(n2)-c2ccccc2)C1=O
Show InChI InChI=1S/C27H21F4N7O3/c1-36-14-23(39)38(26(36)41)13-22-32-12-21(24(34-22)15-6-4-3-5-7-15)33-25(40)17-10-16(20-8-9-37(2)35-20)18(11-19(17)28)27(29,30)31/h3-12H,13-14H2,1-2H3,(H,33,40)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356218
PNG
(US9815846, Compound 218)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCOC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H20F4N6O3/c1-35-8-7-20(34-35)16-11-17(19(27)12-18(16)26(28,29)30)24(37)32-21-13-31-22(14-36-9-10-39-25(36)38)33-23(21)15-5-3-2-4-6-15/h2-8,11-13H,9-10,14H2,1H3,(H,32,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356058
PNG
(2-fluoro-N-(6-((2- methoxyacetamido)methyl)-2- phe...)
Show SMILES COCC(=O)NCc1ccc(NC(=O)c2cc(-c3ccn(C)n3)c(cc2F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C27H23F4N5O3/c1-36-11-10-22(35-36)18-12-19(21(28)13-20(18)27(29,30)31)26(38)34-23-9-8-17(14-32-24(37)15-39-2)33-25(23)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,32,37)(H,34,38)
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n/an/a 0.190n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356196
PNG
(US9815846, Compound 196)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(nc2-c2ccccc2)C2COC(=O)N2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H19F4N5O3/c1-35-10-9-19(34-35)15-11-16(18(27)12-17(15)26(28,29)30)24(36)32-21-8-7-20(22-13-38-25(37)33-22)31-23(21)14-5-3-2-4-6-14/h2-12,22H,13H2,1H3,(H,32,36)(H,33,37)
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n/an/a 0.190n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356222
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((2-ox...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3CCCOC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O3/c1-36-10-8-21(35-36)17-12-18(20(28)13-19(17)27(29,30)31)25(38)33-22-14-32-23(15-37-9-5-11-40-26(37)39)34-24(22)16-6-3-2-4-7-16/h2-4,6-8,10,12-14H,5,9,11,15H2,1H3,(H,33,38)
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n/an/a 0.220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356098
PNG
(N-(6-((2,5-dioxoimidazolidin-1- yl)methyl)-2-pheny...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H20F4N6O3/c1-36-10-9-21(35-36)17-11-18(20(28)12-19(17)27(29,30)31)25(39)34-22-8-7-16(14-37-23(38)13-32-26(37)40)33-24(22)15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,32,40)(H,34,39)
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n/an/a 0.220n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356059
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(6-((2- (...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2ccc(CNC(=O)CS(C)(=O)=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H23F4N5O4S/c1-36-11-10-22(35-36)18-12-19(21(28)13-20(18)27(29,30)31)26(38)34-23-9-8-17(14-32-24(37)15-41(2,39)40)33-25(23)16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3,(H,32,37)(H,34,38)
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n/an/a 0.230n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356227
PNG
(2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-N-(2-((5-ox...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(Cn3cn[nH]c3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
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n/an/a 0.240n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356097
PNG
(N-(2-((2,4-dioxooxazolidin-3- yl)methyl)-4-phenylp...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(CN3C(=O)COC3=O)nc2-c2ccccc2)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C26H18F4N6O4/c1-35-8-7-19(34-35)15-9-16(18(27)10-17(15)26(28,29)30)24(38)32-20-11-31-21(12-36-22(37)13-40-25(36)39)33-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,38)
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n/an/a 0.25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM12134
PNG
(2-methoxy-4-{3-[5-(piperidin-1-ylmethyl)-1H-indol-...)
Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C28H28N4O2/c1-34-27-16-20(7-10-26(27)33)19-6-8-22-24(14-19)30-31-28(22)25-15-21-13-18(5-9-23(21)29-25)17-32-11-3-2-4-12-32/h5-10,13-16,29,33H,2-4,11-12,17H2,1H3,(H,30,31)
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Article
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n/an/a 0.25n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
Kinase activity was measured in a homogeneous assay in a 96-well format. Detection was performed by HTRF using an EuK-labelled anti-phospho(S21)-GSK3...


Bioorg Med Chem Lett 16: 6049-53 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.118
BindingDB Entry DOI: 10.7270/Q29P2ZVV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356129
PNG
(US9815846, Compound 129)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cnc(Cc3nnc[nH]3)nc2-c2ccccc2)c(F)cc1C(F)(F)F
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n/an/a 0.25n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356144
PNG
(US9815846, Compound 144)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc3CCN(Cc3nc2-c2ccccc2)C(N)=O)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C27H22F4N6O2/c1-36-9-8-21(35-36)17-12-18(20(28)13-19(17)27(29,30)31)25(38)34-22-11-16-7-10-37(26(32)39)14-23(16)33-24(22)15-5-3-2-4-6-15/h2-6,8-9,11-13H,7,10,14H2,1H3,(H2,32,39)(H,34,38)
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n/an/a 0.260n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM356172
PNG
(2-fluoro-N-(5-(2- hydroxypropan-2-yl)-6'-phenyl- [...)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2cc(cnc2-c2ccccc2)-c2ccc(cn2)C(C)(C)O)c(F)cc1C(F)(F)F
Show InChI InChI=1S/C31H25F4N5O2/c1-30(2,42)20-9-10-25(36-17-20)19-13-27(28(37-16-19)18-7-5-4-6-8-18)38-29(41)22-14-21(26-11-12-40(3)39-26)23(15-24(22)32)31(33,34)35/h4-17,42H,1-3H3,(H,38,41)
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n/an/a 0.260n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
TrkA functional activity was measured using a DiscoverX PathHunter assay. In this assay, U2OS cells express the human TrkA receptor as a fusion with ...


US Patent US9815846 (2017)

More data for this
Ligand-Target Pair
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