BindingDB logo
myBDB logout

PubMed code 26320619

Compile data set for download or QSAR
Found 88 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM130257
PNG
(US8815840, 17)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM130256
PNG
(US8815840, 15)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123559
PNG
(CHEMBL3622196)
Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H23N3O4/c1-31-18-5-2-15(3-6-18)17-13-20-19-12-16(25(30)28-8-10-32-11-9-28)4-7-22(19)27-23(20)21(14-17)24(26)29/h2-7,12-14,27H,8-11H2,1H3,(H2,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50094659
PNG
(CHEMBL3589164)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123560
PNG
(CHEMBL3622197)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-4-1-14(2-5-17)16-12-19-18-11-15(24(30)28-7-9-31-10-8-28)3-6-21(18)27-22(19)20(13-16)23(26)29/h1-6,11-13,27H,7-10H2,(H2,26,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50094661
PNG
(CHEMBL3589166)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123554
PNG
(CHEMBL3622190)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C35H36N6O3/c1-21-25(6-5-7-29(21)38-34(43)22-8-11-24(12-9-22)39(2)3)26-14-15-28(33(36)42)32-31(26)27-13-10-23(20-30(27)37-32)35(44)41-18-16-40(4)17-19-41/h5-15,20,37H,16-19H2,1-4H3,(H2,36,42)(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123553
PNG
(CHEMBL3622189)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3C)c21)C(N)=O
Show InChI InChI=1S/C33H30FN5O3/c1-19-23(4-3-5-27(19)37-32(41)20-6-9-22(34)10-7-20)24-12-13-26(31(35)40)30-29(24)25-11-8-21(18-28(25)36-30)33(42)39-16-14-38(2)15-17-39/h3-13,18,36H,14-17H2,1-2H3,(H2,35,40)(H,37,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123563
PNG
(CHEMBL3622198)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-20-21-13-18(16-4-3-5-19(12-16)33-2)14-22(25(27)31)24(21)28-23(20)15-17/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123564
PNG
(CHEMBL3622199)
Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-9-11-30(12-10-29)26(32)17-5-8-20-21-13-18(16-3-6-19(33-2)7-4-16)14-22(25(27)31)24(21)28-23(20)15-17/h3-8,13-15,28H,9-12H2,1-2H3,(H2,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM130262
PNG
(US8815840, 61)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123546
PNG
(CHEMBL3621512)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(F)c3F)c21)C(N)=O
Show InChI InChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 6.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123552
PNG
(CHEMBL3621519)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccccc4)c3C)c21)C(N)=O
Show InChI InChI=1S/C33H31N5O3/c1-20-23(9-6-10-27(20)36-32(40)21-7-4-3-5-8-21)24-13-14-26(31(34)39)30-29(24)25-12-11-22(19-28(25)35-30)33(41)38-17-15-37(2)16-18-38/h3-14,19,35H,15-18H2,1-2H3,(H2,34,39)(H,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 7.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123556
PNG
(CHEMBL3622192)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3F)c21)C(N)=O
Show InChI InChI=1S/C32H27F2N5O3/c1-38-13-15-39(16-14-38)32(42)19-7-10-23-26(17-19)36-29-24(30(35)40)12-11-21(27(23)29)22-3-2-4-25(28(22)34)37-31(41)18-5-8-20(33)9-6-18/h2-12,17,36H,13-16H2,1H3,(H2,35,40)(H,37,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 9.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123555
PNG
(CHEMBL3622191)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(cc4)C(C)(C)C)c3C)c21)C(N)=O
Show InChI InChI=1S/C37H39N5O3/c1-22-26(7-6-8-30(22)40-35(44)23-9-12-25(13-10-23)37(2,3)4)27-15-16-29(34(38)43)33-32(27)28-14-11-24(21-31(28)39-33)36(45)42-19-17-41(5)18-20-42/h6-16,21,39H,17-20H2,1-5H3,(H2,38,43)(H,40,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123551
PNG
(CHEMBL3621518)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3c(F)cccc3F)c21)C(N)=O |(10.57,1.6,;9.47,.96,;9.48,-.63,;8.1,-1.43,;6.72,-.64,;6.72,.95,;8.09,1.75,;5.34,-1.43,;5.35,-2.71,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.29,4.03,;-.18,3.4,;-1.3,5.62,;-2.68,6.41,;-4.05,5.6,;-4.04,4.01,;-5.14,3.36,;-1.3,.87,;-2.68,-2.99,;-1.59,-3.65,;-3.79,-3.6,)|
Show InChI InChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-15-20(13-14)29-23-17(24(28)32)8-7-16(21(15)23)22-18(26)3-2-4-19(22)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123545
PNG
(CHEMBL3621511)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3Cl)c21)C(N)=O
Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123466
PNG
(CHEMBL3621500)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(NC(C)=O)cc3)c21)C(N)=O
Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-6-3-17(4-7-19)20-9-10-22(26(28)34)25-24(20)21-8-5-18(15-23(21)30-25)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,34)(H,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123537
PNG
(CHEMBL3621503)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3Cl)c21)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123550
PNG
(CHEMBL3621517)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cc(F)ccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H22F2N4O2/c1-30-8-10-31(11-9-30)25(33)14-2-4-17-21(12-14)29-23-18(24(28)32)6-5-16(22(17)23)19-13-15(26)3-7-20(19)27/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123458
PNG
(CHEMBL3621457)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccccc4F)c3c2c1)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-9-21-19(14-15)22-17(16-4-2-3-5-20(16)26)7-8-18(24(27)31)23(22)28-21/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123548
PNG
(CHEMBL3621514)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(N)c3C)c21)C(N)=O
Show InChI InChI=1S/C26H27N5O2/c1-15-17(4-3-5-21(15)27)18-8-9-20(25(28)32)24-23(18)19-7-6-16(14-22(19)29-24)26(33)31-12-10-30(2)11-13-31/h3-9,14,29H,10-13,27H2,1-2H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123549
PNG
(CHEMBL3621516)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(F)cc3F)c21)C(N)=O
Show InChI InChI=1S/C25H22F2N4O2/c1-30-8-10-31(11-9-30)25(33)14-2-4-18-21(12-14)29-23-19(24(28)32)7-6-17(22(18)23)16-5-3-15(26)13-20(16)27/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123476
PNG
(CHEMBL3621501)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3C)c21)C(N)=O
Show InChI InChI=1S/C26H26N4O2/c1-16-5-3-4-6-18(16)19-9-10-21(25(27)31)24-23(19)20-8-7-17(15-22(20)28-24)26(32)30-13-11-29(2)12-14-30/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123567
PNG
(CHEMBL3622201)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(NC(C)=O)c1)C(N)=O
Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-20-5-3-4-17(12-20)19-13-22-21-7-6-18(27(35)32-10-8-31(2)9-11-32)15-24(21)30-25(22)23(14-19)26(28)34/h3-7,12-15,30H,8-11H2,1-2H3,(H2,28,34)(H,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123459
PNG
(CHEMBL3621458)
Show SMILES COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-9-22-21(15-17)23-19(16-4-3-5-18(14-16)33-2)7-8-20(25(27)31)24(23)28-22/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123461
PNG
(CHEMBL3621460)
Show SMILES COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-11-13-30(14-12-29)26(32)17-5-10-22-21(15-17)23-19(16-3-6-18(33-2)7-4-16)8-9-20(25(27)31)24(23)28-22/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 29n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123464
PNG
(CHEMBL3621498)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3)c21)C(N)=O
Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-5-3-4-17(14-19)20-8-9-22(26(28)34)25-24(20)21-7-6-18(15-23(21)30-25)27(35)32-12-10-31(2)11-13-32/h3-9,14-15,30H,10-13H2,1-2H3,(H2,28,34)(H,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123463
PNG
(CHEMBL3621497)
Show SMILES COc1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-10-12-30(13-11-29)26(32)17-6-7-20-22(15-17)28-24-21(25(27)31)9-8-19(23(20)24)16-4-3-5-18(14-16)33-2/h3-9,14-15,28H,10-13H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123547
PNG
(CHEMBL3621513)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3C)c21)C(N)=O
Show InChI InChI=1S/C26H25ClN4O2/c1-15-17(4-3-5-21(15)27)18-8-9-20(25(28)32)24-23(18)19-7-6-16(14-22(19)29-24)26(33)31-12-10-30(2)11-13-31/h3-9,14,29H,10-13H2,1-2H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123538
PNG
(CHEMBL3621504)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(Cl)c3)c21)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-9-11-30(12-10-29)25(32)16-5-6-19-21(14-16)28-23-20(24(27)31)8-7-18(22(19)23)15-3-2-4-17(26)13-15/h2-8,13-14,28H,9-12H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123557
PNG
(CHEMBL3622194)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)c21)C(N)=O
Show InChI InChI=1S/C32H28FN5O3/c1-37-13-15-38(16-14-37)32(41)21-7-10-25-27(18-21)36-29-26(30(34)39)12-11-24(28(25)29)20-3-2-4-23(17-20)35-31(40)19-5-8-22(33)9-6-19/h2-12,17-18,36H,13-16H2,1H3,(H2,34,39)(H,35,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123462
PNG
(CHEMBL3621495)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4ccc(NC(C)=O)cc4)c3c2c1)C(N)=O
Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-6-3-17(4-7-19)20-8-9-21(26(28)34)25-24(20)22-15-18(5-10-23(22)30-25)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,34)(H,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 39n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 41n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123542
PNG
(CHEMBL3621508)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H27N5O3/c1-29-26(34)17-5-3-16(4-6-17)19-9-10-21(25(28)33)24-23(19)20-8-7-18(15-22(20)30-24)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,33)(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 50n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123465
PNG
(CHEMBL3621499)
Show SMILES COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-11-13-30(14-12-29)26(32)17-5-8-20-22(15-17)28-24-21(25(27)31)10-9-19(23(20)24)16-3-6-18(33-2)7-4-16/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123540
PNG
(CHEMBL3621506)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Cl)cc3)c21)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)16-4-7-19-21(14-16)28-23-20(24(27)31)9-8-18(22(19)23)15-2-5-17(26)6-3-15/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 59n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 68n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LYNa (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123539
PNG
(CHEMBL3621505)
Show SMILES CNC(=O)c1cccc(c1)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H27N5O3/c1-29-26(34)17-5-3-4-16(14-17)19-8-9-21(25(28)33)24-23(19)20-7-6-18(15-22(20)30-24)27(35)32-12-10-31(2)11-13-32/h3-9,14-15,30H,10-13H2,1-2H3,(H2,28,33)(H,29,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 71n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 81n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123460
PNG
(CHEMBL3621459)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(ccc(-c4cccc(NC(C)=O)c4)c3c2c1)C(N)=O
Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-5-3-4-17(14-19)20-7-8-21(26(28)34)25-24(20)22-15-18(6-9-23(22)30-25)27(35)32-12-10-31(2)11-13-32/h3-9,14-15,30H,10-13H2,1-2H3,(H2,28,34)(H,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK)


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 95n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TXK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123544
PNG
(CHEMBL3621510)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Cl)c(Cl)c3)c21)C(N)=O
Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-8-10-31(11-9-30)25(33)15-2-4-17-21(13-15)29-23-18(24(28)32)6-5-16(22(17)23)14-3-7-19(26)20(27)12-14/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 101n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123541
PNG
(CHEMBL3621507)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(cc3)C(C)(C)C)c21)C(N)=O
Show InChI InChI=1S/C29H32N4O2/c1-29(2,3)20-8-5-18(6-9-20)21-11-12-23(27(30)34)26-25(21)22-10-7-19(17-24(22)31-26)28(35)33-15-13-32(4)14-16-33/h5-12,17,31H,13-16H2,1-4H3,(H2,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 103n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 108n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 109n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BMX (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM130257
PNG
(US8815840, 17)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 115n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 116n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK)


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 119n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TXK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 119n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BMX (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123543
PNG
(CHEMBL3621509)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(Oc4ccccc4)cc3)c21)C(N)=O
Show InChI InChI=1S/C31H28N4O3/c1-34-15-17-35(18-16-34)31(37)21-9-12-25-27(19-21)33-29-26(30(32)36)14-13-24(28(25)29)20-7-10-23(11-8-20)38-22-5-3-2-4-6-22/h2-14,19,33H,15-18H2,1H3,(H2,32,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 127n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123536
PNG
(CHEMBL3621502)
Show SMILES COc1ccccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-11-13-30(14-12-29)26(32)16-7-8-19-21(15-16)28-24-20(25(27)31)10-9-18(23(19)24)17-5-3-4-6-22(17)33-2/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 144n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TEC


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 162n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TEC (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK (TXK)


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 172n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TXK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM130256
PNG
(US8815840, 15)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 189n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 193n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BMX (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 204n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LYNa (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 212n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123560
PNG
(CHEMBL3622197)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClN3O3/c25-17-4-1-14(2-5-17)16-12-19-18-11-15(24(30)28-7-9-31-10-8-28)3-6-21(18)27-22(19)20(13-16)23(26)29/h1-6,11-13,27H,7-10H2,(H2,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 308n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123559
PNG
(CHEMBL3622196)
Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H23N3O4/c1-31-18-5-2-15(3-6-18)17-13-20-19-12-16(25(30)28-8-10-32-11-9-28)4-7-22(19)27-23(20)21(14-17)24(26)29/h2-7,12-14,27H,8-11H2,1H3,(H2,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 327n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50094661
PNG
(CHEMBL3589166)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H21N5O/c1-3-12-5-4-6-13(7-12)8-14(11(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h4-7,9-11,14,23H,3,8H2,1-2H3,(H2,18,19,20)/t11-,14?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 360n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123567
PNG
(CHEMBL3622201)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1cccc(NC(C)=O)c1)C(N)=O
Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-20-5-3-4-17(12-20)19-13-22-21-7-6-18(27(35)32-10-8-31(2)9-11-32)15-24(21)30-25(22)23(14-19)26(28)34/h3-7,12-15,30H,8-11H2,1-2H3,(H2,28,34)(H,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 379n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123563
PNG
(CHEMBL3622198)
Show SMILES COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-20-21-13-18(16-4-3-5-19(12-16)33-2)14-22(25(27)31)24(21)28-23(20)15-17/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 404n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123564
PNG
(CHEMBL3622199)
Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c2[nH]c3cc(ccc3c2c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N4O3/c1-29-9-11-30(12-10-29)26(32)17-5-8-20-21-13-18(16-3-6-19(33-2)7-4-16)14-22(25(27)31)24(21)28-23(20)15-17/h3-8,13-15,28H,9-12H2,1-2H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 436n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 444n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50094659
PNG
(CHEMBL3589164)
Show SMILES NC(=O)c1cc(cc2c3cc(ccc3[nH]c12)C(=O)N1CCOCC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/t10-,11?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 461n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 471n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 493n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 569n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 610n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50123455
PNG
(CHEMBL3621496)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccccc3F)c21)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 753n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM130262
PNG
(US8815840, 61)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(cc(cc21)-c1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C25H22Cl2N4O2/c1-30-6-8-31(9-7-30)25(33)15-2-4-17-18-10-16(14-3-5-20(26)21(27)12-14)11-19(24(28)32)23(18)29-22(17)13-15/h2-5,10-13,29H,6-9H2,1H3,(H2,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 812n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 824n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LYNa (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of cKIT (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50123456
PNG
(CHEMBL3621515)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(NC(C)=O)c3C)c21)C(N)=O
Show InChI InChI=1S/C28H29N5O3/c1-16-19(5-4-6-23(16)30-17(2)34)20-9-10-22(27(29)35)26-25(20)21-8-7-18(15-24(21)31-26)28(36)33-13-11-32(3)12-14-33/h4-10,15,31H,11-14H2,1-3H3,(H2,29,35)(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50123457
PNG
(CHEMBL3622193)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1F)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C34H33FN6O3/c1-39(2)22-10-7-20(8-11-22)33(43)38-27-6-4-5-24(30(27)35)23-13-14-26(32(36)42)31-29(23)25-12-9-21(19-28(25)37-31)34(44)41-17-15-40(3)16-18-41/h4-14,19,37H,15-18H2,1-3H3,(H2,36,42)(H,38,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 25: 4265-9 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%