BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 816 hits with Last Name = 'thiyagarajan' and Initial = 'k'   
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
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311193
PNG
((S)-1-(2-(difluoromethyl)-4-(2-(difluoromethyl)pyr...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C20H24F4N2O/c1-12(2)10-20(3,25)11-27-17-5-4-13(8-15(17)18(21)22)14-6-7-26-16(9-14)19(23)24/h4-9,12,18-19H,10-11,25H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311206
PNG
((S)-1-(2-(difluoromethyl)-4-(2-methylpyridin-4-yl)...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C20H26F2N2O/c1-13(2)11-20(4,23)12-25-18-6-5-15(10-17(18)19(21)22)16-7-8-24-14(3)9-16/h5-10,13,19H,11-12,23H2,1-4H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321130
PNG
((S)-8-((2-amino-2,4-dimethylpentyl)oxy)-7-chloro-6...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc-2c(COc3cnc(N)cc-23)c1Cl |r|
Show InChI InChI=1S/C19H24ClN3O2/c1-11(2)7-19(3,22)10-25-15-5-4-12-13-6-17(21)23-8-16(13)24-9-14(12)18(15)20/h4-6,8,11H,7,9-10,22H2,1-3H3,(H2,21,23)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.410n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311199
PNG
((S)-2,4-dimethyl-1-(4-(pyridin-4-yl)-2-(trifluorom...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccncc1 |r|
Show InChI InChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311192
PNG
((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-(difl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C20H23F2N3O/c1-13(2)10-20(3,24)12-26-18-5-4-14(8-16(18)11-23)15-6-7-25-17(9-15)19(21)22/h4-9,13,19H,10,12,24H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311191
PNG
((S)-1-(4-(2-(difluoromethyl)pyridin-4-yl)-2-(trifl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C20H23F5N2O/c1-12(2)10-19(3,26)11-28-17-5-4-13(8-15(17)20(23,24)25)14-6-7-27-16(9-14)18(21)22/h4-9,12,18H,10-11,26H2,1-3H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321107
PNG
((S)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-...)
Show SMILES CCOC(=O)Nc1cc-2c(OCc3cc(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r|
Show InChI InChI=1S/C22H29N3O4/c1-5-27-21(26)25-20-9-18-17-7-6-16(29-13-22(4,23)10-14(2)3)8-15(17)12-28-19(18)11-24-20/h6-9,11,14H,5,10,12-13,23H2,1-4H3,(H,24,25,26)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.620n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311270
PNG
((S)-1-(2-cyclopropyl-4-(2-(difluoromethyl)pyridin-...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C22H28F2N2O/c1-14(2)12-22(3,25)13-27-20-7-6-16(10-18(20)15-4-5-15)17-8-9-26-19(11-17)21(23)24/h6-11,14-15,21H,4-5,12-13,25H2,1-3H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321129
PNG
((S)-8-((2-amino-2,4-dimethylpentyl)oxy)-6H-isochro...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc-2c(COc3c(N)nccc-23)c1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-12(2)9-19(3,21)11-24-14-4-5-15-13(8-14)10-23-17-16(15)6-7-22-18(17)20/h4-8,12H,9-11,21H2,1-3H3,(H2,20,22)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.740n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM510974
PNG
(5-methyl-1-[4-(1-methyl- 1H-pyrazol-4-yl)phenyl]- ...)
Show SMILES Cc1c(cnn1-c1ccc(cc1)-c1cnn(C)c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2n(C)ncc2cc1C(N)=O |r,wD:26.32,23.28,21.23,(-.13,7.05,;-.45,5.54,;-1.85,4.91,;-1.69,3.38,;-.19,3.06,;.58,4.4,;2.12,4.56,;3.02,3.31,;4.55,3.47,;5.18,4.88,;4.27,6.13,;2.74,5.96,;6.71,5.04,;7.48,6.37,;8.99,6.05,;9.15,4.52,;10.48,3.75,;7.74,3.9,;-3.19,5.68,;-3.19,7.22,;-4.52,4.91,;-4.52,3.37,;-5.61,2.29,;-4.52,1.2,;-3.43,2.29,;-3.43,.11,;-4.52,-.98,;-5.61,.11,;-4.52,-2.52,;-5.61,-3.61,;-7.04,-3.04,;-8.25,-4,;-9.77,-3.74,;-10.45,-2.36,;-10.48,-5.11,;-9.4,-6.21,;-8.02,-5.52,;-6.59,-6.09,;-5.39,-5.13,;-3.95,-5.7,;-3.73,-7.22,;-2.75,-4.74,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.800n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SN0DWX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311206
PNG
((S)-1-(2-(difluoromethyl)-4-(2-methylpyridin-4-yl)...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C20H26F2N2O/c1-13(2)11-20(4,23)12-25-18-6-5-15(10-17(18)19(21)22)16-7-8-24-14(3)9-16/h5-10,13,19H,11-12,23H2,1-4H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311166
PNG
( (S)-2-((2-amino-4-methylpentyl)oxy)-5-(2-methylpy...)
Show SMILES CC(C)C[C@H](N)COc1ccc(cc1C#N)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H23N3O/c1-13(2)8-18(21)12-23-19-5-4-15(10-17(19)11-20)16-6-7-22-14(3)9-16/h4-7,9-10,13,18H,8,12,21H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321131
PNG
((S)-methyl (8-((2-amino-2,4-dimethylpentyl)oxy)-7-...)
Show SMILES COC(=O)Nc1cc-2c(OCc3c(Cl)c(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r|
Show InChI InChI=1S/C21H26ClN3O4/c1-12(2)8-21(3,23)11-29-16-6-5-13-14-7-18(25-20(26)27-4)24-9-17(14)28-10-15(13)19(16)22/h5-7,9,12H,8,10-11,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311201
PNG
((S)-2,4-dimethyl-1-(4-(2-methylpyridin-4-yl)-2-(tr...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C20H25F3N2O/c1-13(2)11-19(4,24)12-26-18-6-5-15(10-17(18)20(21,22)23)16-7-8-25-14(3)9-16/h5-10,13H,11-12,24H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311193
PNG
((S)-1-(2-(difluoromethyl)-4-(2-(difluoromethyl)pyr...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C20H24F4N2O/c1-12(2)10-20(3,25)11-27-17-5-4-13(8-15(17)18(21)22)14-6-7-26-16(9-14)19(23)24/h4-9,12,18-19H,10-11,25H2,1-3H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321111
PNG
((S)-methyl (8-((2-amino-2,4-dimethylpentyl)oxy)-7-...)
Show SMILES COC(=O)Nc1cc-2c(OCc3c(F)c(OC[C@@](C)(N)CC(C)C)ccc-23)cn1 |r|
Show InChI InChI=1S/C21H26FN3O4/c1-12(2)8-21(3,23)11-29-16-6-5-13-14-7-18(25-20(26)27-4)24-9-17(14)28-10-15(13)19(16)22/h5-7,9,12H,8,10-11,23H2,1-4H3,(H,24,25,26)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.910n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074818
PNG
(CHEMBL3410163)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074693
PNG
(CHEMBL3410162)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C30H29F3N4O3/c1-18-9-8-12-20(17-18)24(26(34)38)22(15-16-30(31,32)33)28(39)36-27-29(40)37(2)23-14-7-6-13-21(23)25(35-27)19-10-4-3-5-11-19/h3-14,17,22,24,27H,15-16H2,1-2H3,(H2,34,38)(H,36,39)/t22-,24+,27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074796
PNG
(CHEMBL3410169)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 2


(Homo sapiens (Human))		BDBM50074694
PNG
(CHEMBL3410161)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccccc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H27F3N4O3/c1-36-22-15-9-8-14-20(22)24(19-12-6-3-7-13-19)34-26(28(36)39)35-27(38)21(16-17-29(30,31)32)23(25(33)37)18-10-4-2-5-11-18/h2-15,21,23,26H,16-17H2,1H3,(H2,33,37)(H,35,38)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch2 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074771
PNG
(CHEMBL3410153)
Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17|
Show InChI InChI=1S/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074796
PNG
(CHEMBL3410169)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)20(13-14-29(32,33)34)23(25(35)39)18-12-11-17(30)15-21(18)31/h2-12,15,20,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t20-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074771
PNG
(CHEMBL3410153)
Show SMILES CCC(CC)[C@@H]([C@@H](CCC(F)(F)F)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:17|
Show InChI InChI=1S/C28H33F3N4O3/c1-4-17(5-2)22(24(32)36)20(15-16-28(29,30)31)26(37)34-25-27(38)35(3)21-14-10-9-13-19(21)23(33-25)18-11-7-6-8-12-18/h6-14,17,20,22,25H,4-5,15-16H2,1-3H3,(H2,32,36)(H,34,37)/t20-,22+,25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074799
PNG
(CHEMBL3410167)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM510980
PNG
(1-(2,2-difluoroethyl)-6-(2- hydroxy-2- methylpropo...)
Show SMILES Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(CC(F)F)c5cc(OCC(C)(C)O)ccc45)C3)nc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SN0DWX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321106
PNG
((R)-ethyl (8-((2-amino-2,4-dimethylpentyl)oxy)-6H-...)
Show SMILES CC(C)CC(C)(COc1ccc-2c(COc3cnc(N)cc-23)c1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C24H33N3O4/c1-15(2)11-24(6,27-22(28)31-23(3,4)5)14-30-17-7-8-18-16(9-17)13-29-20-12-26-21(25)10-19(18)20/h7-10,12,15H,11,13-14H2,1-6H3,(H2,25,26)(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311304
PNG
(((S)-1-((6-chloro-2′-(difluoromethyl)-[2,4&#...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1Cl)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C23H30ClF2N3O3/c1-14(2)12-23(6,29-21(30)32-22(3,4)5)13-31-18-8-7-16(28-19(18)24)15-9-10-27-17(11-15)20(25)26/h7-11,14,20H,12-13H2,1-6H3,(H,29,30)/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM510981
PNG
(1-(2,2-difluoroethyl)-6-(2- fluoro-2-methylpropoxy...)
Show SMILES Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(CC(F)F)c5cc(OCC(C)(C)F)ccc45)C3)nc12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SN0DWX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321087
PNG
((S)-8-((2-amino-2,4-dimethylpentyl)oxy)-9-chloro-4...)
Show SMILES CC(C)C[C@](C)(N)COc1cc2c(cc1Cl)c1ccnc(C)c1n(C)c2=O |r|
Show InChI InChI=1S/C21H26ClN3O2/c1-12(2)10-21(4,23)11-27-18-9-16-15(8-17(18)22)14-6-7-24-13(3)19(14)25(5)20(16)26/h6-9,12H,10-11,23H2,1-5H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311337
PNG
((S)-1-((5-(difluoromethyl)-2′-methyl-[3,4...)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C(F)F)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C19H25F2N3O/c1-12(2)9-19(4,22)11-25-18-16(17(20)21)8-15(10-24-18)14-5-6-23-13(3)7-14/h5-8,10,12,17H,9,11,22H2,1-4H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074799
PNG
(CHEMBL3410167)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)cc2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H26F4N4O3/c1-37-22-10-6-5-9-20(22)24(18-7-3-2-4-8-18)35-26(28(37)40)36-27(39)21(15-16-29(31,32)33)23(25(34)38)17-11-13-19(30)14-12-17/h2-14,21,23,26H,15-16H2,1H3,(H2,34,38)(H,36,39)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074798
PNG
(CHEMBL3410168)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311267
PNG
((S)-1-((2′,6-bis(difluoromethyl)-[2,4′...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311267
PNG
((S)-1-((2′,6-bis(difluoromethyl)-[2,4′...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(nc1C(F)F)-c1ccnc(c1)C(F)F |r|
Show InChI InChI=1S/C19H23F4N3O/c1-11(2)9-19(3,24)10-27-15-5-4-13(26-16(15)18(22)23)12-6-7-25-14(8-12)17(20)21/h4-8,11,17-18H,9-10,24H2,1-3H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074795
PNG
(CHEMBL3410170)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cc(F)cc(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-20(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)21(11-12-29(32,33)34)23(25(35)39)17-13-18(30)15-19(31)14-17/h2-10,13-15,21,23,26H,11-12H2,1H3,(H2,35,39)(H,37,40)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074798
PNG
(CHEMBL3410168)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2ccc(F)c(F)c2)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C29H25F5N4O3/c1-38-22-10-6-5-9-18(22)24(16-7-3-2-4-8-16)36-26(28(38)41)37-27(40)19(13-14-29(32,33)34)23(25(35)39)17-11-12-20(30)21(31)15-17/h2-12,15,19,23,26H,13-14H2,1H3,(H2,35,39)(H,37,40)/t19-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 3


(Homo sapiens (Human))		BDBM50074818
PNG
(CHEMBL3410163)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@@H](C(N)=O)c2cccc(c2)C(F)(F)F)C1=O)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C30H26F6N4O3/c1-40-22-13-6-5-12-20(22)24(17-8-3-2-4-9-17)38-26(28(40)43)39-27(42)21(14-15-29(31,32)33)23(25(37)41)18-10-7-11-19(16-18)30(34,35)36/h2-13,16,21,23,26H,14-15H2,1H3,(H2,37,41)(H,39,42)/t21-,23+,26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch3 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
Neurogenic locus notch homolog protein 1


(Homo sapiens (Human))		BDBM50074784
PNG
(CHEMBL3410151)
Show SMILES CCC(CC)[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O)C(N)=O |r,t:15|
Show InChI InChI=1S/C29H38N4O3/c1-6-19(7-2)24(26(30)34)22(17-18(3)4)28(35)32-27-29(36)33(5)23-16-12-11-15-21(23)25(31-27)20-13-9-8-10-14-20/h8-16,18-19,22,24,27H,6-7,17H2,1-5H3,(H2,30,34)(H,32,35)/t22-,24+,27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Notch1 intracellular domain fragment transfected in human HeLa cells co-transfected with CBF1-PGL3 luciferase reporter vector by transa...

Bioorg Med Chem Lett 25: 1905-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.038
BindingDB Entry DOI: 10.7270/Q2X92D18
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321098
PNG
((S)¿N-(8-((2-amino-4-methylpentyl)oxy)-6H-isochrom...)
Show SMILES CC(C)C[C@H](N)COc1ccc-2c(COc3cnc(NC(C)=O)cc-23)c1 |r|
Show InChI InChI=1S/C20H25N3O3/c1-12(2)6-15(21)11-25-16-4-5-17-14(7-16)10-26-19-9-22-20(8-18(17)19)23-13(3)24/h4-5,7-9,12,15H,6,10-11,21H2,1-3H3,(H,22,23,24)/t15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321120
PNG
((S)-isopropyl (8-((2-amino-2,4-dimethylpentyl)oxy)...)
Show SMILES CC(C)C[C@@](C)(COc1ccc-2c(COc3cnc(NC(=O)OC(C)C)cc-23)c1)NC(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C28H39N3O6/c1-17(2)13-28(8,31-26(33)37-27(5,6)7)16-35-20-9-10-21-19(11-20)15-34-23-14-29-24(12-22(21)23)30-25(32)36-18(3)4/h9-12,14,17-18H,13,15-16H2,1-8H3,(H,31,33)(H,29,30,32)/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM510905
PNG
(6-(2-hydroxy-2- methylpropoxy)-N- [(aR)-6-({6- car...)
Show SMILES CC(C)(O)COc1ccc2c(cnn2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2ccsc2cc1C(N)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.20n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SN0DWX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311200
PNG
((S)-1-(4-(2-fluoropyridin-4-yl)-2-(trifluoromethyl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C(F)(F)F)-c1ccnc(F)c1 |r|
Show InChI InChI=1S/C19H22F4N2O/c1-12(2)10-18(3,24)11-26-16-5-4-13(8-15(16)19(21,22)23)14-6-7-25-17(20)9-14/h4-9,12H,10-11,24H2,1-3H3/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321118
PNG
((S)-1-((4-chloro-6H-isochromeno[3,4-c]pyridin-8-yl...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc-2c(COc3c(Cl)nccc-23)c1 |r|
Show InChI InChI=1S/C19H23ClN2O2/c1-12(2)9-19(3,21)11-24-14-4-5-15-13(8-14)10-23-17-16(15)6-7-22-18(17)20/h4-8,12H,9-11,21H2,1-3H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM311205
PNG
((S)-1-(2-cyclopropyl-4-(2-methylpyridin-4-yl)pheno...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc(cc1C1CC1)-c1ccnc(C)c1 |r|
Show InChI InChI=1S/C22H30N2O/c1-15(2)13-22(4,23)14-25-21-8-7-18(12-20(21)17-5-6-17)19-9-10-24-16(3)11-19/h7-12,15,17H,5-6,13-14,23H2,1-4H3/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM510975
PNG
(1-(difluoromethyl)-5-(4- methanesulfonylphenyl)- N...)
Show SMILES Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cc(-c5ccc(cc5)S(C)(=O)=O)n(n4)C(F)F)C3)nc12 |r,wD:12.11,14.13,16.18,(-9.16,-1.47,;-8.67,-2.93,;-9.56,-4.19,;-8.63,-5.42,;-7.18,-4.93,;-5.83,-5.68,;-4.51,-4.89,;-3.16,-5.64,;-3.14,-7.18,;-1.84,-4.85,;-4.53,-3.35,;-3.21,-2.56,;-3.21,-1.02,;-2.12,.07,;-3.21,1.15,;-4.3,2.24,;-3.21,3.33,;-2.12,2.24,;-3.21,4.87,;-1.87,5.64,;-1.87,7.18,;-.54,4.87,;.87,5.5,;1.9,4.35,;3.43,4.52,;4.33,3.27,;5.87,3.43,;6.49,4.84,;5.59,6.08,;4.06,5.92,;8.02,5,;9.56,5.16,;7.86,6.53,;8.19,3.47,;1.13,3.02,;-.38,3.34,;1.75,1.61,;.85,.37,;3.29,1.45,;-4.3,.07,;-5.87,-2.6,;-7.2,-3.39,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.30n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SN0DWX
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321103
PNG
((S)¿N-(8-((2-amino-2,4-dimethylpentyl)oxy)-6H-isoc...)
Show SMILES CC(C)C[C@](C)(N)COc1ccc-2c(COc3cnc(NC(C)=O)cc-23)c1 |r|
Show InChI InChI=1S/C21H27N3O3/c1-13(2)9-21(4,22)12-27-16-5-6-17-15(7-16)11-26-19-10-23-20(8-18(17)19)24-14(3)25/h5-8,10,13H,9,11-12,22H2,1-4H3,(H,23,24,25)/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM50586144
PNG
(CHEMBL5074638)
Show SMILES CC(C)C[C@](C)(N)COc1ncc(cc1C)-c1ccnc(c1)C(F)F |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02131
BindingDB Entry DOI: 10.7270/Q2X63RT2
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321074
PNG
(8-((2-amino-2,4-dimethylpentyl)oxy)benzo[c][1,7]na...)
Show SMILES COc1ccc(Cn2c3cnccc3c3ccc(OCC(C)(CC(C)C)NC(=O)OC(C)(C)C)cc3c2=O)cc1
Show InChI InChI=1S/C32H39N3O5/c1-21(2)17-32(6,34-30(37)40-31(3,4)5)20-39-24-12-13-25-26-14-15-33-18-28(26)35(29(36)27(25)16-24)19-22-8-10-23(38-7)11-9-22/h8-16,18,21H,17,19-20H2,1-7H3,(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
AP2-associated protein kinase 1


(Homo sapiens (Human))		BDBM321102
PNG
(N-(8-((2-amino-2,4-dimethylpentyl)oxy)-6H-isochrom...)
Show SMILES CC(C)CC(C)(COc1ccc-2c(COc3cnc(NC(C)=O)cc-23)c1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H35N3O5/c1-16(2)12-26(7,29-24(31)34-25(4,5)6)15-33-19-8-9-20-18(10-19)14-32-22-13-27-23(11-21(20)22)28-17(3)30/h8-11,13,16H,12,14-15H2,1-7H3,(H,29,31)(H,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...

US Patent US10174044 (2019)


BindingDB Entry DOI: 10.7270/Q2222WVN
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 816 total )  |  Next  |  Last  >>
Jump to: