BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2749   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378873
PNG
(US10266535, Compound 12)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
US Patent
n/an/a 15.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378877
PNG
(US10266535, Compound 76)
Show SMILES CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(5.63,-5.86,;4.54,-6.95,;4.93,-8.44,;3.05,-6.55,;1.96,-7.64,;2.36,-9.13,;.47,-7.24,;.07,-5.75,;-1.41,-5.36,;-1.81,-3.87,;-.72,-2.78,;.76,-3.18,;1.16,-4.66,;-1.49,-1.45,;-.59,-.2,;-1.49,1.05,;-.72,2.38,;.76,2.78,;1.16,4.27,;.07,5.36,;.47,6.84,;1.96,7.24,;3.05,6.15,;4.54,6.55,;4.93,8.04,;3.85,9.13,;2.36,8.73,;-1.41,4.96,;-1.81,3.47,;-2.96,.57,;-4.29,1.34,;-4.29,2.88,;-5.63,.57,;-5.63,-.97,;-4.29,-1.74,;-2.96,-.97,)|
Show InChI InChI=1S/C27H31N7O2/c1-33(2)16-23(35)31-19-10-12-20(13-11-19)34-27-24(26(28)29-17-30-27)25(32-34)18-8-14-22(15-9-18)36-21-6-4-3-5-7-21/h3-9,14-15,17,19-20H,10-13,16H2,1-2H3,(H,31,35)(H2,28,29,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378878
PNG
(US10266535, Compound 77)
Show SMILES CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:4.4,(5.68,-8.93,;4.19,-9.33,;4.59,-10.81,;2.7,-8.93,;2.31,-7.44,;3.39,-6.35,;.82,-7.04,;-.27,-8.13,;.42,-5.55,;.02,-4.07,;-1.47,-3.67,;-1.87,-2.18,;-.78,-1.09,;.71,-1.49,;1.11,-2.98,;-1.55,.24,;-.64,1.49,;-1.55,2.73,;-.78,4.07,;.71,4.47,;1.11,5.95,;.02,7.04,;.42,8.53,;1.91,8.93,;3,7.84,;4.48,8.24,;4.88,9.73,;3.79,10.81,;2.31,10.42,;-1.47,6.64,;-1.87,5.16,;-3.01,2.26,;-4.35,3.03,;-4.35,4.57,;-5.68,2.26,;-5.68,.72,;-4.35,-.05,;-3.01,.72,)|
Show InChI InChI=1S/C29H35N7O2/c1-18(2)16-24(30)29(37)34-20-10-12-21(13-11-20)36-28-25(27(31)32-17-33-28)26(35-36)19-8-14-23(15-9-19)38-22-6-4-3-5-7-22/h3-9,14-15,17-18,20-21,24H,10-13,16,30H2,1-2H3,(H,34,37)(H2,31,32,33)/t20?,21?,24-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378857
PNG
(US10266535, Compound 33)
Show SMILES CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C29H33N7O2/c1-34-16-13-21(14-17-34)29(37)35-15-5-6-22(18-35)36-28-25(27(30)31-19-32-28)26(33-36)20-9-11-24(12-10-20)38-23-7-3-2-4-8-23/h2-4,7-12,19,21-22H,5-6,13-18H2,1H3,(H2,30,31,32)/t22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378878
PNG
(US10266535, Compound 77)
Show SMILES CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:4.4,(5.68,-8.93,;4.19,-9.33,;4.59,-10.81,;2.7,-8.93,;2.31,-7.44,;3.39,-6.35,;.82,-7.04,;-.27,-8.13,;.42,-5.55,;.02,-4.07,;-1.47,-3.67,;-1.87,-2.18,;-.78,-1.09,;.71,-1.49,;1.11,-2.98,;-1.55,.24,;-.64,1.49,;-1.55,2.73,;-.78,4.07,;.71,4.47,;1.11,5.95,;.02,7.04,;.42,8.53,;1.91,8.93,;3,7.84,;4.48,8.24,;4.88,9.73,;3.79,10.81,;2.31,10.42,;-1.47,6.64,;-1.87,5.16,;-3.01,2.26,;-4.35,3.03,;-4.35,4.57,;-5.68,2.26,;-5.68,.72,;-4.35,-.05,;-3.01,.72,)|
Show InChI InChI=1S/C29H35N7O2/c1-18(2)16-24(30)29(37)34-20-10-12-21(13-11-20)36-28-25(27(31)32-17-33-28)26(35-36)19-8-14-23(15-9-19)38-22-6-4-3-5-7-22/h3-9,14-15,17-18,20-21,24H,10-13,16,30H2,1-2H3,(H,34,37)(H2,31,32,33)/t20?,21?,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378881
PNG
(US10266535, Compound 47)
Show SMILES C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H27N7O2/c1-16(26)25(33)31-13-5-6-18(14-31)32-24-21(23(27)28-15-29-24)22(30-32)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18H,5-6,13-14,26H2,1H3,(H2,27,28,29)/t16-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378868
PNG
(US10266535, Compound 7)
Show SMILES N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378880
PNG
(US10266535, Compound 48)
Show SMILES N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H27N7O3/c26-20(14-33)25(34)31-12-4-5-17(13-31)32-24-21(23(27)28-15-29-24)22(30-32)16-8-10-19(11-9-16)35-18-6-2-1-3-7-18/h1-3,6-11,15,17,20,33H,4-5,12-14,26H2,(H2,27,28,29)/t17-,20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378884
PNG
(US10266535, Compound 43)
Show SMILES NCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H25N7O2/c25-13-20(32)30-12-4-5-17(14-30)31-24-21(23(26)27-15-28-24)22(29-31)16-8-10-19(11-9-16)33-18-6-2-1-3-7-18/h1-3,6-11,15,17H,4-5,12-14,25H2,(H2,26,27,28)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378882
PNG
(US10266535, Compound 45)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H31N7O2/c1-17(2)23(28)27(35)33-14-6-7-19(15-33)34-26-22(25(29)30-16-31-26)24(32-34)18-10-12-21(13-11-18)36-20-8-4-3-5-9-20/h3-5,8-13,16-17,19,23H,6-7,14-15,28H2,1-2H3,(H2,29,30,31)/t19-,23-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378884
PNG
(US10266535, Compound 43)
Show SMILES NCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H25N7O2/c25-13-20(32)30-12-4-5-17(14-30)31-24-21(23(26)27-15-28-24)22(29-31)16-8-10-19(11-9-16)33-18-6-2-1-3-7-18/h1-3,6-11,15,17H,4-5,12-14,25H2,(H2,26,27,28)/t17-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378866
PNG
(US10266535, Compound 5)
Show SMILES NC(=O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H23N7O3/c25-21-19-20(15-8-10-18(11-9-15)34-17-6-2-1-3-7-17)29-31(23(19)28-14-27-21)16-5-4-12-30(13-16)24(33)22(26)32/h1-3,6-11,14,16H,4-5,12-13H2,(H2,26,32)(H2,25,27,28)/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378879
PNG
(US10266535, Compound 78)
Show SMILES CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:8.11,(3.79,-8.04,;2.31,-7.64,;1.91,-9.13,;2.7,-6.15,;.82,-7.24,;.42,-5.75,;1.51,-4.66,;1.11,-3.18,;-.38,-2.78,;-1.47,-3.87,;-1.07,-5.36,;-1.15,-1.45,;-.24,-.2,;-1.15,1.05,;-.38,2.38,;1.11,2.78,;1.51,4.27,;.42,5.36,;.82,6.84,;2.31,7.24,;3.39,6.15,;4.88,6.55,;5.28,8.04,;4.19,9.13,;2.7,8.73,;-1.07,4.96,;-1.47,3.47,;-2.61,.57,;-3.95,1.34,;-3.95,2.88,;-5.28,.57,;-5.28,-.97,;-3.95,-1.74,;-2.61,-.97,)|
Show InChI InChI=1S/C24H26N6O3S/c1-34(31,32)29-17-9-11-18(12-10-17)30-24-21(23(25)26-15-27-24)22(28-30)16-7-13-20(14-8-16)33-19-5-3-2-4-6-19/h2-8,13-15,17-18,29H,9-12H2,1H3,(H2,25,26,27)/t17?,18-
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50135187
PNG
(CHEMBL3745919 | US10266535, Compound 22)
Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378870
PNG
(US10266535, Compound 9)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 49n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378883
PNG
(US10266535, Compound 44)
Show SMILES CC(O)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H29N7O3/c1-16(34)22(27)26(35)32-13-5-6-18(14-32)33-25-21(24(28)29-15-30-25)23(31-33)17-9-11-20(12-10-17)36-19-7-3-2-4-8-19/h2-4,7-12,15-16,18,22,34H,5-6,13-14,27H2,1H3,(H2,28,29,30)/t16?,18-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378859
PNG
(US10266535, Compound 14)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C27H30N8O2/c28-25-23-24(19-8-10-22(11-9-19)37-21-6-2-1-3-7-21)32-35(26(23)31-18-30-25)20-5-4-14-34(17-20)27(36)33-15-12-29-13-16-33/h1-3,6-11,18,20,29H,4-5,12-17H2,(H2,28,30,31)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 63n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378881
PNG
(US10266535, Compound 47)
Show SMILES C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H27N7O2/c1-16(26)25(33)31-13-5-6-18(14-31)32-24-21(23(27)28-15-29-24)22(30-32)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18H,5-6,13-14,26H2,1H3,(H2,27,28,29)/t16-,18-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 76n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378864
PNG
(US10266535, Compound 26)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C31H31N7O2/c32-26(18-21-8-3-1-4-9-21)31(39)37-17-7-10-23(19-37)38-30-27(29(33)34-20-35-30)28(36-38)22-13-15-25(16-14-22)40-24-11-5-2-6-12-24/h1-6,8-9,11-16,20,23,26H,7,10,17-19,32H2,(H2,33,34,35)/t23-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 98n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378872
PNG
(US10266535, Compound 11)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C31H31N7O3/c32-26(17-20-8-12-23(39)13-9-20)31(40)37-16-4-5-22(18-37)38-30-27(29(33)34-19-35-30)28(36-38)21-10-14-25(15-11-21)41-24-6-2-1-3-7-24/h1-3,6-15,19,22,26,39H,4-5,16-18,32H2,(H2,33,34,35)/t22-,26+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378860
PNG
(US10266535, Compound 20)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N |r|
Show InChI InChI=1S/C25H23N7O2/c26-13-12-21(33)31-14-4-5-18(15-31)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12,14-15H2,(H2,27,28,29)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 114n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378864
PNG
(US10266535, Compound 26)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C31H31N7O2/c32-26(18-21-8-3-1-4-9-21)31(39)37-17-7-10-23(19-37)38-30-27(29(33)34-20-35-30)28(36-38)22-13-15-25(16-14-22)40-24-11-5-2-6-12-24/h1-6,8-9,11-16,20,23,26H,7,10,17-19,32H2,(H2,33,34,35)/t23-,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378880
PNG
(US10266535, Compound 48)
Show SMILES N[C@H](CO)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H27N7O3/c26-20(14-33)25(34)31-12-4-5-17(13-31)32-24-21(23(27)28-15-29-24)22(30-32)16-8-10-19(11-9-16)35-18-6-2-1-3-7-18/h1-3,6-11,15,17,20,33H,4-5,12-14,26H2,(H2,27,28,29)/t17-,20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 121n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378858
PNG
(US10266535, Compound 30)
Show SMILES CS(=O)(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C23H24N6O3S/c1-33(30,31)28-13-5-6-17(14-28)29-23-20(22(24)25-15-26-23)21(27-29)16-9-11-19(12-10-16)32-18-7-3-2-4-8-18/h2-4,7-12,15,17H,5-6,13-14H2,1H3,(H2,24,25,26)/t17-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 122n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378878
PNG
(US10266535, Compound 77)
Show SMILES CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:4.4,(5.68,-8.93,;4.19,-9.33,;4.59,-10.81,;2.7,-8.93,;2.31,-7.44,;3.39,-6.35,;.82,-7.04,;-.27,-8.13,;.42,-5.55,;.02,-4.07,;-1.47,-3.67,;-1.87,-2.18,;-.78,-1.09,;.71,-1.49,;1.11,-2.98,;-1.55,.24,;-.64,1.49,;-1.55,2.73,;-.78,4.07,;.71,4.47,;1.11,5.95,;.02,7.04,;.42,8.53,;1.91,8.93,;3,7.84,;4.48,8.24,;4.88,9.73,;3.79,10.81,;2.31,10.42,;-1.47,6.64,;-1.87,5.16,;-3.01,2.26,;-4.35,3.03,;-4.35,4.57,;-5.68,2.26,;-5.68,.72,;-4.35,-.05,;-3.01,.72,)|
Show InChI InChI=1S/C29H35N7O2/c1-18(2)16-24(30)29(37)34-20-10-12-21(13-11-20)36-28-25(27(31)32-17-33-28)26(35-36)19-8-14-23(15-9-19)38-22-6-4-3-5-7-22/h3-9,14-15,17-18,20-21,24H,10-13,16,30H2,1-2H3,(H,34,37)(H2,31,32,33)/t20?,21?,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 128n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378871
PNG
(US10266535, Compound 10)
Show SMILES N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C31H31N7O3/c32-26(17-20-8-12-23(39)13-9-20)31(40)37-16-4-5-22(18-37)38-30-27(29(33)34-19-35-30)28(36-38)21-10-14-25(15-11-21)41-24-6-2-1-3-7-24/h1-3,6-15,19,22,26,39H,4-5,16-18,32H2,(H2,33,34,35)/t22-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 128n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378867
PNG
(US10266535, Compound 6)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 128n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378865
PNG
(US10266535, Compound 27)
Show SMILES CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378871
PNG
(US10266535, Compound 10)
Show SMILES N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C31H31N7O3/c32-26(17-20-8-12-23(39)13-9-20)31(40)37-16-4-5-22(18-37)38-30-27(29(33)34-19-35-30)28(36-38)21-10-14-25(15-11-21)41-24-6-2-1-3-7-24/h1-3,6-15,19,22,26,39H,4-5,16-18,32H2,(H2,33,34,35)/t22-,26-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 168n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378859
PNG
(US10266535, Compound 14)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)N1CCNCC1 |r|
Show InChI InChI=1S/C27H30N8O2/c28-25-23-24(19-8-10-22(11-9-19)37-21-6-2-1-3-7-21)32-35(26(23)31-18-30-25)20-5-4-14-34(17-20)27(36)33-15-12-29-13-16-33/h1-3,6-11,18,20,29H,4-5,12-17H2,(H2,28,30,31)/t20-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 186n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM50135187
PNG
(CHEMBL3745919 | US10266535, Compound 22)
Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 190n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378862
PNG
(US10266535, Compound 23)
Show SMILES CC(O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C25H26N6O3/c1-16(32)25(33)30-13-5-6-18(14-30)31-24-21(23(26)27-15-28-24)22(29-31)17-9-11-20(12-10-17)34-19-7-3-2-4-8-19/h2-4,7-12,15-16,18,32H,5-6,13-14H2,1H3,(H2,26,27,28)/t16?,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378863
PNG
(US10266535, Compound 25)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H33N7O2/c1-3-18(2)24(29)28(36)34-15-7-8-20(16-34)35-27-23(26(30)31-17-32-27)25(33-35)19-11-13-22(14-12-19)37-21-9-5-4-6-10-21/h4-6,9-14,17-18,20,24H,3,7-8,15-16,29H2,1-2H3,(H2,30,31,32)/t18-,20-,24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 216n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378869
PNG
(US10266535, Compound 8)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 254n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378882
PNG
(US10266535, Compound 45)
Show SMILES CC(C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C27H31N7O2/c1-17(2)23(28)27(35)33-14-6-7-19(15-33)34-26-22(25(29)30-16-31-26)24(32-34)18-10-12-21(13-11-18)36-20-8-4-3-5-9-20/h3-5,8-13,16-17,19,23H,6-7,14-15,28H2,1-2H3,(H2,29,30,31)/t19-,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM50135187
PNG
(CHEMBL3745919 | US10266535, Compound 22)
Show SMILES CN(C)CC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C26H29N7O2/c1-31(2)16-22(34)32-14-6-7-19(15-32)33-26-23(25(27)28-17-29-26)24(30-33)18-10-12-21(13-11-18)35-20-8-4-3-5-9-20/h3-5,8-13,17,19H,6-7,14-16H2,1-2H3,(H2,27,28,29)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 330n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378867
PNG
(US10266535, Compound 6)
Show SMILES N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 343n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378879
PNG
(US10266535, Compound 78)
Show SMILES CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:8.11,(3.79,-8.04,;2.31,-7.64,;1.91,-9.13,;2.7,-6.15,;.82,-7.24,;.42,-5.75,;1.51,-4.66,;1.11,-3.18,;-.38,-2.78,;-1.47,-3.87,;-1.07,-5.36,;-1.15,-1.45,;-.24,-.2,;-1.15,1.05,;-.38,2.38,;1.11,2.78,;1.51,4.27,;.42,5.36,;.82,6.84,;2.31,7.24,;3.39,6.15,;4.88,6.55,;5.28,8.04,;4.19,9.13,;2.7,8.73,;-1.07,4.96,;-1.47,3.47,;-2.61,.57,;-3.95,1.34,;-3.95,2.88,;-5.28,.57,;-5.28,-.97,;-3.95,-1.74,;-2.61,-.97,)|
Show InChI InChI=1S/C24H26N6O3S/c1-34(31,32)29-17-9-11-18(12-10-17)30-24-21(23(25)26-15-27-24)22(28-30)16-7-13-20(14-8-16)33-19-5-3-2-4-6-19/h2-8,13-15,17-18,29H,9-12H2,1H3,(H2,25,26,27)/t17?,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 343n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378873
PNG
(US10266535, Compound 12)
Show SMILES CC(C)C[C@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 349n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378877
PNG
(US10266535, Compound 76)
Show SMILES CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(5.63,-5.86,;4.54,-6.95,;4.93,-8.44,;3.05,-6.55,;1.96,-7.64,;2.36,-9.13,;.47,-7.24,;.07,-5.75,;-1.41,-5.36,;-1.81,-3.87,;-.72,-2.78,;.76,-3.18,;1.16,-4.66,;-1.49,-1.45,;-.59,-.2,;-1.49,1.05,;-.72,2.38,;.76,2.78,;1.16,4.27,;.07,5.36,;.47,6.84,;1.96,7.24,;3.05,6.15,;4.54,6.55,;4.93,8.04,;3.85,9.13,;2.36,8.73,;-1.41,4.96,;-1.81,3.47,;-2.96,.57,;-4.29,1.34,;-4.29,2.88,;-5.63,.57,;-5.63,-.97,;-4.29,-1.74,;-2.96,-.97,)|
Show InChI InChI=1S/C27H31N7O2/c1-33(2)16-23(35)31-19-10-12-20(13-11-19)34-27-24(26(28)29-17-30-27)25(32-34)18-8-14-22(15-9-18)36-21-6-4-3-5-7-21/h3-9,14-15,17,19-20H,10-13,16H2,1-2H3,(H,31,35)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 388n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378868
PNG
(US10266535, Compound 7)
Show SMILES N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 399n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378866
PNG
(US10266535, Compound 5)
Show SMILES NC(=O)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C24H23N7O3/c25-21-19-20(15-8-10-18(11-9-15)34-17-6-2-1-3-7-17)29-31(23(19)28-14-27-21)16-5-4-12-30(13-16)24(33)22(26)32/h1-3,6-11,14,16H,4-5,12-13H2,(H2,26,32)(H2,25,27,28)/t16-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378857
PNG
(US10266535, Compound 33)
Show SMILES CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C29H33N7O2/c1-34-16-13-21(14-17-34)29(37)35-15-5-6-22(18-35)36-28-25(27(30)31-19-32-28)26(33-36)20-9-11-24(12-10-20)38-23-7-3-2-4-8-23/h2-4,7-12,19,21-22H,5-6,13-18H2,1H3,(H2,30,31,32)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 421n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378879
PNG
(US10266535, Compound 78)
Show SMILES CS(=O)(=O)NC1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:8.11,(3.79,-8.04,;2.31,-7.64,;1.91,-9.13,;2.7,-6.15,;.82,-7.24,;.42,-5.75,;1.51,-4.66,;1.11,-3.18,;-.38,-2.78,;-1.47,-3.87,;-1.07,-5.36,;-1.15,-1.45,;-.24,-.2,;-1.15,1.05,;-.38,2.38,;1.11,2.78,;1.51,4.27,;.42,5.36,;.82,6.84,;2.31,7.24,;3.39,6.15,;4.88,6.55,;5.28,8.04,;4.19,9.13,;2.7,8.73,;-1.07,4.96,;-1.47,3.47,;-2.61,.57,;-3.95,1.34,;-3.95,2.88,;-5.28,.57,;-5.28,-.97,;-3.95,-1.74,;-2.61,-.97,)|
Show InChI InChI=1S/C24H26N6O3S/c1-34(31,32)29-17-9-11-18(12-10-17)30-24-21(23(25)26-15-27-24)22(28-30)16-7-13-20(14-8-16)33-19-5-3-2-4-6-19/h2-8,13-15,17-18,29H,9-12H2,1H3,(H2,25,26,27)/t17?,18-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 455n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Dimer of Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378877
PNG
(US10266535, Compound 76)
Show SMILES CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(5.63,-5.86,;4.54,-6.95,;4.93,-8.44,;3.05,-6.55,;1.96,-7.64,;2.36,-9.13,;.47,-7.24,;.07,-5.75,;-1.41,-5.36,;-1.81,-3.87,;-.72,-2.78,;.76,-3.18,;1.16,-4.66,;-1.49,-1.45,;-.59,-.2,;-1.49,1.05,;-.72,2.38,;.76,2.78,;1.16,4.27,;.07,5.36,;.47,6.84,;1.96,7.24,;3.05,6.15,;4.54,6.55,;4.93,8.04,;3.85,9.13,;2.36,8.73,;-1.41,4.96,;-1.81,3.47,;-2.96,.57,;-4.29,1.34,;-4.29,2.88,;-5.63,.57,;-5.63,-.97,;-4.29,-1.74,;-2.96,-.97,)|
Show InChI InChI=1S/C27H31N7O2/c1-33(2)16-23(35)31-19-10-12-20(13-11-19)34-27-24(26(28)29-17-30-27)25(32-34)18-8-14-22(15-9-18)36-21-6-4-3-5-7-21/h3-9,14-15,17,19-20H,10-13,16H2,1-2H3,(H,31,35)(H2,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 478n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378874
PNG
(US10266535, Compound 2)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F3N6O2/c25-24(26,27)23(34)32-12-4-5-16(13-32)33-22-19(21(28)29-14-30-22)20(31-33)15-8-10-18(11-9-15)35-17-6-2-1-3-7-17/h1-3,6-11,14,16H,4-5,12-13H2,(H2,28,29,30)/t16-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 572n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378863
PNG
(US10266535, Compound 25)
Show SMILES CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H33N7O2/c1-3-18(2)24(29)28(36)34-15-7-8-20(16-34)35-27-23(26(30)31-17-32-27)25(33-35)19-11-13-22(14-12-19)37-21-9-5-4-6-10-21/h4-6,9-14,17-18,20,24H,3,7-8,15-16,29H2,1-2H3,(H2,30,31,32)/t18-,20-,24-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 580n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM378865
PNG
(US10266535, Compound 27)
Show SMILES CC(C)C[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C28H33N7O2/c1-18(2)15-23(29)28(36)34-14-6-7-20(16-34)35-27-24(26(30)31-17-32-27)25(33-35)19-10-12-22(13-11-19)37-21-8-4-3-5-9-21/h3-5,8-13,17-18,20,23H,6-7,14-16,29H2,1-2H3,(H2,30,31,32)/t20-,23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 688n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))		BDBM378860
PNG
(US10266535, Compound 20)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)CC#N |r|
Show InChI InChI=1S/C25H23N7O2/c26-13-12-21(33)31-14-4-5-18(15-31)32-25-22(24(27)28-16-29-25)23(30-32)17-8-10-20(11-9-17)34-19-6-2-1-3-7-19/h1-3,6-11,16,18H,4-5,12,14-15H2,(H2,27,28,29)/t18-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 718n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
In the experiments of in vitro enzymatic activity, the IC50 values of Compound 33, Compound 30, Compound 14, Compound 20, Compound 22, Compound 23, C...

Bioorg Med Chem Lett 16: 2095-100 (2006)


BindingDB Entry DOI: 10.7270/Q25141JM
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 56 total )  |  Next  |  Last  >>
Jump to: