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Compile Data Set for Download or QSAR

Found 876 hits with Last Name = 'acton' and Initial = 'j'   
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
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002827
PNG
(1-{3-(3-Hydroxy-propoxy)-2-propoxy-5-[(2S,5S)-5-(3...)
Show SMILES CCCOc1c(OCCCO)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H38O10S/c1-6-11-37-28-25(36-12-7-10-29)15-20(16-26(28)39(31,32)17-18(2)30)22-9-8-21(38-22)19-13-23(33-3)27(35-5)24(14-19)34-4/h13-16,21-22,29H,6-12,17H2,1-5H3/t21-,22-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002828
PNG
(1-{3-(3-Morpholin-4-yl-propoxy)-2-propoxy-5-[(2S,5...)
Show SMILES CCCOc1c(OCCCN2CCOCC2)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C32H45NO10S/c1-6-13-42-32-29(41-14-7-10-33-11-15-40-16-12-33)19-24(20-30(32)44(35,36)21-22(2)34)26-9-8-25(43-26)23-17-27(37-3)31(39-5)28(18-23)38-4/h17-20,25-26H,6-16,21H2,1-5H3/t25-,26-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002824
PNG
((S)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22-,23-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002827
PNG
(1-{3-(3-Hydroxy-propoxy)-2-propoxy-5-[(2S,5S)-5-(3...)
Show SMILES CCCOc1c(OCCCO)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H38O10S/c1-6-11-37-28-25(36-12-7-10-29)15-20(16-26(28)39(31,32)17-18(2)30)22-9-8-21(38-22)19-13-23(33-3)27(35-5)24(14-19)34-4/h13-16,21-22,29H,6-12,17H2,1-5H3/t21-,22-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002826
PNG
(1-{3-(3-Imidazol-1-yl-propoxy)-2-propoxy-5-[(2S,5S...)
Show SMILES CCCOc1c(OCCCn2ccnc2)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H40N2O9S/c1-6-13-41-31-28(40-14-7-11-33-12-10-32-20-33)17-23(18-29(31)43(35,36)19-21(2)34)25-9-8-24(42-25)22-15-26(37-3)30(39-5)27(16-22)38-4/h10,12,15-18,20,24-25H,6-9,11,13-14,19H2,1-5H3/t24-,25-/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002825
PNG
((R)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22+,23+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002824
PNG
((S)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22-,23-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002825
PNG
((R)-5-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-tri...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)C[C@H](C)CCCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H42O9S/c1-7-13-37-29-26(35-5)16-21(17-27(29)39(31,32)18-19(2)9-8-12-30)23-11-10-22(38-23)20-14-24(33-3)28(36-6)25(15-20)34-4/h14-17,19,22-23,30H,7-13,18H2,1-6H3/t19-,22+,23+/m1/s1
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3.72n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to PMN membrane receptors


Bioorg Med Chem Lett 1: 327-332 (1991)


Article DOI: 10.1016/S0960-894X(01)80818-0
BindingDB Entry DOI: 10.7270/Q2TM7BKP
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM81972
PNG
((S)-(+)-ALPHA-METHYL-1H-IMIDAZOLE-4-ETHANAMINE DIH...)
Show SMILES C[C@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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Article
59n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to human platelet


Bioorg Med Chem Lett 1: 327-332 (1991)


Article DOI: 10.1016/S0960-894X(01)80818-0
BindingDB Entry DOI: 10.7270/Q2TM7BKP
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50366241
PNG
(CHEMBL297624 | L-652731)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
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103n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit PAF binding to rabbit platelet membrane


Bioorg Med Chem Lett 1: 327-332 (1991)


Article DOI: 10.1016/S0960-894X(01)80818-0
BindingDB Entry DOI: 10.7270/Q2TM7BKP
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50366241
PNG
(CHEMBL297624 | L-652731)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1CC[C@@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
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103n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002822
PNG
((-)-trans 42s,5S)-2-[3-[(2-Oxopropyl)sulfony1]-4-n...)
Show SMILES CCCOc1c(OCCCOP(O)([O-])=O)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H39O13PS/c1-6-10-39-28-25(38-11-7-12-40-42(30,31)32)15-20(16-26(28)43(33,34)17-18(2)29)22-9-8-21(41-22)19-13-23(35-3)27(37-5)24(14-19)36-4/h13-16,21-22H,6-12,17H2,1-5H3,(H2,30,31,32)/p-1/t21-,22-/m0/s1
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110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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116n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to human platelet


Bioorg Med Chem Lett 1: 327-332 (1991)


Article DOI: 10.1016/S0960-894X(01)80818-0
BindingDB Entry DOI: 10.7270/Q2TM7BKP
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002823
PNG
(2-{3-Methoxy-2-propoxy-5-[(2S,5S)-5-(3,4,5-trimeth...)
Show SMILES CCCOc1c(OC)cc(cc1S(=O)(=O)CCO)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H34O9S/c1-6-10-33-25-22(31-4)14-17(15-23(25)35(27,28)11-9-26)19-8-7-18(34-19)16-12-20(29-2)24(32-5)21(13-16)30-3/h12-15,18-19,26H,6-11H2,1-5H3/t18-,19-/m0/s1
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116n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for it''s ability to inhibit [3H]C18-PAF binding to human platelet


Bioorg Med Chem Lett 1: 327-332 (1991)


Article DOI: 10.1016/S0960-894X(01)80818-0
BindingDB Entry DOI: 10.7270/Q2TM7BKP
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002822
PNG
((-)-trans 42s,5S)-2-[3-[(2-Oxopropyl)sulfony1]-4-n...)
Show SMILES CCCOc1c(OCCCOP(O)([O-])=O)cc(cc1S(=O)(=O)CC(C)=O)[C@@H]1CC[C@H](O1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H39O13PS/c1-6-10-39-28-25(38-11-7-12-40-42(30,31)32)15-20(16-26(28)43(33,34)17-18(2)29)22-9-8-21(41-22)19-13-23(35-3)27(37-5)24(14-19)36-4/h13-16,21-22H,6-12,17H2,1-5H3,(H2,30,31,32)/p-1/t21-,22-/m0/s1
PDB

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174n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro effect on inhibition of the binding of [3H]C18-Platelet activating factor to human PMN membranes preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Homo sapiens (Human))
BDBM50002830
PNG
((2R,3R,4R,5S)-2,5-Bis-(3,4-dimethoxy-phenyl)-3,4-d...)
Show SMILES COc1ccc(cc1OC)[C@H]1O[C@H]([C@H](C)[C@H]1C)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22+/m1/s1
PDB

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1.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of the binding of [3H]C18-Platelet activating factor to human platelet membrane preparation


J Med Chem 35: 3474-82 (1992)


BindingDB Entry DOI: 10.7270/Q2445N3B
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50584324
PNG
(CHEMBL5088471)
Show SMILES Clc1c(Nc2ncc3ccc(cc3n2)C2(CC22CC2)C#N)cnn1C1CCOCC1
PDB

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n/an/a<0.0800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST-fused LRRK2 G2109S mutant (970 to 2527 residues) (unknown origin) preincubated with enzyme for 15 mins follo...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01968
BindingDB Entry DOI: 10.7270/Q2RX9GZH
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620916
PNG
((3S,4S) or (3R,4R) 4-(4-(6- chloro-2-((5-(difluoro...)
Show SMILES CC(C)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1C(F)F
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620868
PNG
((3S,4S) or (3R,4R) 4-(4-(6- chloro-2-((5-chloro-1-...)
Show SMILES CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620922
PNG
((3R,4R)-4-(4-(6-chloro-2-((1- cyclopropyl-5-(diflu...)
Show SMILES C[C@]1(COC[C@@H]1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4)c3C(F)F)ncc2cc1Cl |r|
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620971
PNG
((3S,4S) or (3R, 4R)-4-((R) or (S)- 4-(6-chloro-2-(...)
Show SMILES CC1CN(CCN1c1cc2nc(Nc3cnn(C4CC4)c3Cl)ncc2cc1Cl)C1COCC1O
PDB

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n/an/a 0.0880n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620720
PNG
(US20230303540, Example Ex-3.1)
Show SMILES COCC12CC(C1)(C2)n1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2C[C@@H]3CC[C@H](C2)[C@]3(C)O)c1Cl |r|
PDB

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n/an/a 0.0930n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620851
PNG
(US20230303540, Example Ex-5.1)
Show SMILES Cc1cc2cnc(Nc3cnn(C4CC4(F)F)c3Cl)nc2cc1N1CCN(CC1)C1COCC1O
PDB

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n/an/a 0.105n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620733
PNG
(1-{6-chloro-2-[(1-cyclopropyl-5- methyl-1H-pyrazol...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(O)CC2)cnn1C1CC1
PDB

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n/an/a 0.106n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620974
PNG
(US20230303540, Example Ex-13.1 | US20230303540, Ex...)
Show SMILES OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(c3Cl)C34CC(C3)C4)ncc2cc1Cl
PDB

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n/an/a 0.116n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620858
PNG
((3S,4S) or (3R,4R) 4-(4-{2-[(5- chloro-1-cycloprop...)
Show SMILES Cc1cc2cnc(Nc3cnn(C4CC4)c3Cl)nc2cc1N1CCN(CC1)C1COCC1O
PDB

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n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620778
PNG
((3R,4R) or (3S,4S) 4-(4-(6-chloro- 2-((5-chloro-1-...)
Show SMILES CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C(F)F)c3Cl)ncc2cc1Cl
PDB

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n/an/a 0.178n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620854
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((1- cyclopropyl-5-meth...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
PDB

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n/an/a 0.180n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620857
PNG
((3S,4S) or (3R,4R) 4-(4-{2-[(1- cyclopropyl-5-meth...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C1CC1
PDB

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n/an/a 0.197n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620875
PNG
(1-(6-chloro-2-{[1-(2,2-(R) or (S) difluorocyclopro...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cnn1C1CC1(F)F
PDB

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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620779
PNG
((R or S) 6-chloro-N-(5-chloro-1-((S) or (R) 2,2-d...)
Show SMILES CC1(CCOC1)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620868
PNG
((3S,4S) or (3R,4R) 4-(4-(6- chloro-2-((5-chloro-1-...)
Show SMILES CC1(COCC1O)N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

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n/an/a 0.212n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620734
PNG
(US20230303540, Example Ex-3.15 | US20230303540, Ex...)
Show SMILES COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC(CO)C3)CC2)cn1
PDB

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n/an/a 0.218n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620731
PNG
(1-(6-chloro-2-{[1-(2-hydroxy-2- methylpropyl)-1H-p...)
Show SMILES CC(C)(O)Cn1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC(C)(O)CC2)cn1
PDB

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n/an/a 0.221n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620734
PNG
(US20230303540, Example Ex-3.15 | US20230303540, Ex...)
Show SMILES COCC12CC(C1)(C2)n1cc(Nc2ncc3cc(Cl)c(cc3n2)N2CCC3(COC(CO)C3)CC2)cn1
PDB

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n/an/a 0.227n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620977
PNG
((3S,4S) or (3R, 4R)-4-(4-(2-((1- (bicyclo[1.1.1]pe...)
Show SMILES Cc1cc2cnc(Nc3cnn(c3Cl)C34CC(C3)C4)nc2cc1N1CCN(CC1)C1(C)COCC1O
PDB

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n/an/a 0.267n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620893
PNG
((3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[5-chloro-1-...)
Show SMILES OC1COCC1N1CCN(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3Cl)ncc2cc1Cl
PDB

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n/an/a 0.270n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620719
PNG
((3S,4S or 3R,4R)-N-(1- (bicyclo[1.1.1]pentan-1-yl)...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)CCOC2)cnn1C12CC(C1)C2
PDB

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n/an/a 0.279n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
CHEMBL5267350
PNG
PDB

KEGG

UniProtKB/SwissProt

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UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
CHEMBL5286106
PNG
PDB

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UniProtKB/SwissProt

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UniChem
n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
CHEMBL5286106
PNG
PDB

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n/an/a 0.300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620853
PNG
((3S,4S) or (3R,4R) 4-(4-(2-((1- (2,2-(R) or (S) di...)
Show SMILES Cc1c(Nc2ncc3cc(C)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
PDB

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n/an/a 0.310n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620884
PNG
((3S,4S) or (3R,4R) 4-(4-{6- chloro-2-[(1-cycloprop...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1
PDB

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n/an/a 0.322n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620887
PNG
((3S,4S) or (3R,4R) 2-[4-({6- chloro-7-[4-(4-hydrox...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2COCC2O)cnn1C(C)(C)C#N
PDB

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n/an/a 0.323n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620904
PNG
((3S,4S) or (3R,4R) 4-[4-(6- chloro-2-{[1-(2,2-(R) ...)
Show SMILES Cc1c(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)cnn1C1CC1(F)F
PDB

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n/an/a 0.352n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM620894
PNG
((3S,4S) or (3R,4R) 4-(4-{6- chloro-2-[(5-chloro-1-...)
Show SMILES Cn1ncc(Nc2ncc3cc(Cl)c(cc3n2)N2CCN(CC2)C2(C)COCC2O)c1Cl
PDB

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n/an/a 0.381n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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