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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'glicksman' and Initial = 'm'   
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
ADAM17


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP10


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 0.0160n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM50058332
PNG
(CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...)
Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Myosin light chain kinase, smooth muscle


(Gallus gallus (chicken))
BDBM50058332
PNG
(CHEMBL299496 | methyl 10,23-di(ethylsulfanylmethyl...)
Show SMILES CCSCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50182409
PNG
((2R,3S)-N1-((S)-1-(3-(phenylamino)benzyl)-2-oxoaze...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C30H42N4O3/c1-4-11-25(28(31)35)26(18-21(2)3)29(36)33-27-16-8-9-17-34(30(27)37)20-22-12-10-15-24(19-22)32-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,32H,4,8-9,11,16-18,20H2,1-3H3,(H2,31,35)(H,33,36)/t25-,26+,27-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410864
PNG
(CHEMBL208504)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(F)c(Cl)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C30H40ClFN4O3/c1-4-8-23(28(33)37)24(15-19(2)3)29(38)35-27-11-5-6-14-36(30(27)39)18-20-9-7-10-21(16-20)34-22-12-13-26(32)25(31)17-22/h7,9-10,12-13,16-17,19,23-24,27,34H,4-6,8,11,14-15,18H2,1-3H3,(H2,33,37)(H,35,38)/t23-,24+,27-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410871
PNG
(CHEMBL208350)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(C)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O3/c1-5-10-26(29(32)36)27(17-21(2)3)30(37)34-28-15-6-7-16-35(31(28)38)20-23-12-9-14-25(19-23)33-24-13-8-11-22(4)18-24/h8-9,11-14,18-19,21,26-28,33H,5-7,10,15-17,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410859
PNG
(CHEMBL382880)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3Cl)c2)C1=O)C(N)=O
Show InChI InChI=1S/C30H41ClN4O3/c1-4-10-23(28(32)36)24(17-20(2)3)29(37)34-27-15-7-8-16-35(30(27)38)19-21-11-9-12-22(18-21)33-26-14-6-5-13-25(26)31/h5-6,9,11-14,18,20,23-24,27,33H,4,7-8,10,15-17,19H2,1-3H3,(H2,32,36)(H,34,37)/t23-,24+,27-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410861
PNG
(CHEMBL424684)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H41F3N4O3/c1-4-8-25(28(35)39)26(17-20(2)3)29(40)37-27-11-5-6-16-38(30(27)41)19-21-9-7-10-24(18-21)36-23-14-12-22(13-15-23)31(32,33)34/h7,9-10,12-15,18,20,25-27,36H,4-6,8,11,16-17,19H2,1-3H3,(H2,35,39)(H,37,40)/t25-,26+,27-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410860
PNG
(CHEMBL410532)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(OC)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O4/c1-5-10-26(29(32)36)27(17-21(2)3)30(37)34-28-15-6-7-16-35(31(28)38)20-22-11-8-12-23(18-22)33-24-13-9-14-25(19-24)39-4/h8-9,11-14,18-19,21,26-28,33H,5-7,10,15-17,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311312
PNG
(CHEMBL1078739 | N-(2-chlorophenyl)-6-phenylimidazo...)
Show SMILES Clc1ccccc1NC(=O)c1cnc2ccc(cn12)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c21-16-8-4-5-9-17(16)23-20(25)18-12-22-19-11-10-15(13-24(18)19)14-6-2-1-3-7-14/h1-13H,(H,23,25)
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n/an/a 60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311306
PNG
(CHEMBL1078214 | N-(2-chlorophenyl)-5-(piperidin-1-...)
Show SMILES Clc1ccccc1NC(=O)c1cnn2ccc(cc12)N1CCCCC1
Show InChI InChI=1S/C19H19ClN4O/c20-16-6-2-3-7-17(16)22-19(25)15-13-21-24-11-8-14(12-18(15)24)23-9-4-1-5-10-23/h2-3,6-8,11-13H,1,4-5,9-10H2,(H,22,25)
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n/an/a 63n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311302
PNG
(CHEMBL1078107 | N-(2-chlorophenyl)-5-phenylpyrazol...)
Show SMILES Clc1ccccc1NC(=O)c1cnn2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c21-17-8-4-5-9-18(17)23-20(25)16-13-22-24-11-10-15(12-19(16)24)14-6-2-1-3-7-14/h1-13H,(H,23,25)
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n/an/a 66n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410863
PNG
(CHEMBL208230)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(NN3CCCCC3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C29H47N5O3/c1-4-11-24(27(30)35)25(18-21(2)3)28(36)31-26-14-6-9-15-33(29(26)37)20-22-12-10-13-23(19-22)32-34-16-7-5-8-17-34/h10,12-13,19,21,24-26,32H,4-9,11,14-18,20H2,1-3H3,(H2,30,35)(H,31,36)/t24-,25+,26-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311303
PNG
(CHEMBL1077571 | N-(2-chlorophenyl)-5-(dimethylamin...)
Show SMILES CN(C)c1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1
Show InChI InChI=1S/C16H15ClN4O/c1-20(2)11-7-8-21-15(9-11)12(10-18-21)16(22)19-14-6-4-3-5-13(14)17/h3-10H,1-2H3,(H,19,22)
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n/an/a 77n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311316
PNG
(CHEMBL1077739 | LDN-211904 | N-(2-chlorophenyl)-6-...)
Show SMILES Clc1ccccc1NC(=O)c1cnc2ccc(cn12)C1CCNCC1
Show InChI InChI=1S/C19H19ClN4O/c20-15-3-1-2-4-16(15)23-19(25)17-11-22-18-6-5-14(12-24(17)18)13-7-9-21-10-8-13/h1-6,11-13,21H,7-10H2,(H,23,25)
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n/an/a 79n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311313
PNG
(CHEMBL1078840 | N-(2-chlorophenyl)-6-(piperidin-1-...)
Show SMILES Clc1ccccc1NC(=O)c1cnc2ccc(cn12)N1CCCCC1
Show InChI InChI=1S/C19H19ClN4O/c20-15-6-2-3-7-16(15)22-19(25)17-12-21-18-9-8-14(13-24(17)18)23-10-4-1-5-11-23/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,22,25)
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n/an/a 87n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379521
PNG
(CHEMBL2012574)
Show SMILES COc1ccc2c(c1)n(CCCCN)c1c(nccc21)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410868
PNG
(CHEMBL205970)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc4OCOc4c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H42N4O5/c1-4-8-24(29(32)36)25(15-20(2)3)30(37)34-26-11-5-6-14-35(31(26)38)18-21-9-7-10-22(16-21)33-23-12-13-27-28(17-23)40-19-39-27/h7,9-10,12-13,16-17,20,24-26,33H,4-6,8,11,14-15,18-19H2,1-3H3,(H2,32,36)(H,34,37)/t24-,25+,26-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50410867
PNG
(CHEMBL274414)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(OC)cc3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O4/c1-5-9-26(29(32)36)27(18-21(2)3)30(37)34-28-12-6-7-17-35(31(28)38)20-22-10-8-11-24(19-22)33-23-13-15-25(39-4)16-14-23/h8,10-11,13-16,19,21,26-28,33H,5-7,9,12,17-18,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 160n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379526
PNG
(CHEMBL2012563)
Show SMILES Cc1nccc2c3ccc(O)cc3n(CCCCN)c12
Show InChI InChI=1S/C16H19N3O/c1-11-16-14(6-8-18-11)13-5-4-12(20)10-15(13)19(16)9-3-2-7-17/h4-6,8,10,20H,2-3,7,9,17H2,1H3
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379512
PNG
(CHEMBL2012559)
Show SMILES COc1ccc2c(c1)n(CCCCN)c1c(C)nccc21
Show InChI InChI=1S/C17H21N3O/c1-12-17-15(7-9-19-12)14-6-5-13(21-2)11-16(14)20(17)10-4-3-8-18/h5-7,9,11H,3-4,8,10,18H2,1-2H3
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311318
PNG
(6-bromo-N-(2-chlorophenyl)-2-methylimidazo[1,2-a]p...)
Show SMILES Cc1nc2ccc(Br)cn2c1C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C15H11BrClN3O/c1-9-14(20-8-10(16)6-7-13(20)18-9)15(21)19-12-5-3-2-4-11(12)17/h2-8H,1H3,(H,19,21)
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n/an/a 173n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379525
PNG
(CHEMBL2012562)
Show SMILES CCc1nccc2c3ccc(OC)cc3n(CCCCN)c12
Show InChI InChI=1S/C18H23N3O/c1-3-16-18-15(8-10-20-16)14-7-6-13(22-2)12-17(14)21(18)11-5-4-9-19/h6-8,10,12H,3-5,9,11,19H2,1-2H3
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n/an/a 190n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311301
PNG
(CHEMBL1080959 | N-(2-chlorophenyl)-5-methoxypyrazo...)
Show SMILES COc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H12ClN3O2/c1-21-10-6-7-19-14(8-10)11(9-17-19)15(20)18-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,18,20)
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n/an/a 190n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311304
PNG
(CHEMBL1078108 | N-(2-chlorophenyl)-5-(1H-pyrrol-1-...)
Show SMILES Clc1ccccc1NC(=O)c1cnn2ccc(cc12)-n1cccc1
Show InChI InChI=1S/C18H13ClN4O/c19-15-5-1-2-6-16(15)21-18(24)14-12-20-23-10-7-13(11-17(14)23)22-8-3-4-9-22/h1-12H,(H,21,24)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50182403
PNG
((2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-...)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO
Show InChI InChI=1S/C30H41N3O5/c1-4-11-25(29(35)32-37)26(18-21(2)3)28(34)31-27-16-8-9-17-33(30(27)36)20-22-12-10-15-24(19-22)38-23-13-6-5-7-14-23/h5-7,10,12-15,19,21,25-27,37H,4,8-9,11,16-18,20H2,1-3H3,(H,31,34)(H,32,35)/t25-,26+,27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line


Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM228657
PNG
(GSK3-XIII)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
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n/an/a 200n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50058336
PNG
(CHEMBL53885 | methyl 10,23-di(ethoxymethyl)-16-hyd...)
Show SMILES CCOCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C33H33N3O7/c1-5-41-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-42-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)43-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24?,32-,33-/m0/s1
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Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379516
PNG
(CHEMBL2012569)
Show SMILES COc1cccc2c3ccnc(C)c3n(CCCCN)c12
Show InChI InChI=1S/C17H21N3O/c1-12-16-14(8-10-19-12)13-6-5-7-15(21-2)17(13)20(16)11-4-3-9-18/h5-8,10H,3-4,9,11,18H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379522
PNG
(CHEMBL2012575)
Show SMILES NCCCCn1c2cc(O)ccc2c2ccnc(c12)C(F)(F)F
Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)15-14-12(5-7-21-15)11-4-3-10(23)9-13(11)22(14)8-2-1-6-20/h3-5,7,9,23H,1-2,6,8,20H2
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311317
PNG
(CHEMBL1077740 | N-(2-chlorophenyl)-6-(4-hydroxypip...)
Show SMILES OC1(CCNCC1)c1ccc2ncc(C(=O)Nc3ccccc3Cl)n2c1
Show InChI InChI=1S/C19H19ClN4O2/c20-14-3-1-2-4-15(14)23-18(25)16-11-22-17-6-5-13(12-24(16)17)19(26)7-9-21-10-8-19/h1-6,11-12,21,26H,7-10H2,(H,23,25)
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n/an/a 228n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311305
PNG
(CHEMBL1078109 | N-(2-chlorophenyl)-5-morpholinopyr...)
Show SMILES Clc1ccccc1NC(=O)c1cnn2ccc(cc12)N1CCOCC1
Show InChI InChI=1S/C18H17ClN4O2/c19-15-3-1-2-4-16(15)21-18(24)14-12-20-23-6-5-13(11-17(14)23)22-7-9-25-10-8-22/h1-6,11-12H,7-10H2,(H,21,24)
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n/an/a 240n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311296
PNG
(CHEMBL1081498 | N-(2-chlorophenyl)-5-methylpyrazol...)
Show SMILES Cc1ccn2ncc(C(=O)Nc3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H12ClN3O/c1-10-6-7-19-14(8-10)11(9-17-19)15(20)18-13-5-3-2-4-12(13)16/h2-9H,1H3,(H,18,20)
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n/an/a 260n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50058333
PNG
(CHEMBL291985 | methyl 16-hydroxy-10,23-di(methoxym...)
Show SMILES COCc1ccc2n3C4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(COC)cc5c5c6CNC(=O)c6c(c2c1)c3c45
Show InChI InChI=1S/C31H29N3O7/c1-30-31(37,29(36)40-4)11-22(41-30)33-20-7-5-15(13-38-2)9-17(20)24-25-19(12-32-28(25)35)23-18-10-16(14-39-3)6-8-21(18)34(30)27(23)26(24)33/h5-10,22,37H,11-14H2,1-4H3,(H,32,35)/t22?,30-,31-/m0/s1
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Kyowa Hakko Kogyo Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined


J Med Chem 40: 1863-9 (1997)


Article DOI: 10.1021/jm970031d
BindingDB Entry DOI: 10.7270/Q2W95891
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379511
PNG
(CHEMBL2012560)
Show SMILES COc1ccc2c(c1)n(CCCCN)c1cnccc21
Show InChI InChI=1S/C16H19N3O/c1-20-12-4-5-13-14-6-8-18-11-16(14)19(15(13)10-12)9-3-2-7-17/h4-6,8,10-11H,2-3,7,9,17H2,1H3
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379519
PNG
(CHEMBL2012572)
Show SMILES CNCCCCn1c2cc(OC)ccc2c2ccnc(C)c12
Show InChI InChI=1S/C18H23N3O/c1-13-18-16(8-10-20-13)15-7-6-14(22-3)12-17(15)21(18)11-5-4-9-19-2/h6-8,10,12,19H,4-5,9,11H2,1-3H3
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n/an/a 340n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50311311
PNG
(CHEMBL1078738 | N-(2-chlorophenyl)imidazo[1,2-a]py...)
Show SMILES Clc1ccccc1NC(=O)c1cnc2ccccn12
Show InChI InChI=1S/C14H10ClN3O/c15-10-5-1-2-6-11(10)17-14(19)12-9-16-13-7-3-4-8-18(12)13/h1-9H,(H,17,19)
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB3 kinase-mediated BTK-peptide phosphorylation assessed as 33P incorporation after 30 mins by scintillation counti...


Bioorg Med Chem Lett 19: 6122-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.010
BindingDB Entry DOI: 10.7270/Q2T43T66
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50379523
PNG
(CHEMBL2012558)
Show SMILES COc1ccc2c(c1)n(CCCN)c1c(C)nccc21
Show InChI InChI=1S/C16H19N3O/c1-11-16-14(6-8-18-11)13-5-4-12(20-2)10-15(13)19(16)9-3-7-17/h4-6,8,10H,3,7,9,17H2,1-2H3
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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal MBP-tagged haspin kinase expressed in Escherichia coli DE3 after 10 mins by TR-FRET assay


Bioorg Med Chem Lett 22: 2015-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.028
BindingDB Entry DOI: 10.7270/Q20K29KK
More data for this
Ligand-Target Pair
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