BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'cuervo' and Initial = 'jh'   
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
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115187
PNG
(2-[2-carboxy-1-(3-methyl-1-(1-(2-Iodo-phenyl)-3-[4...)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2I)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C30H38IN5O8/c1-16(2)13-22(27(40)34-23(15-25(38)39)28(41)36-26(17(3)4)29(42)43)33-24(37)14-18-9-11-19(12-10-18)32-30(44)35-21-8-6-5-7-20(21)31/h5-12,16-17,22-23,26H,13-15H2,1-4H3,(H,33,37)(H,34,40)(H,36,41)(H,38,39)(H,42,43)(H2,32,35,44)/t22-,23-,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


Article DOI: 10.1021/jm020054e
BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115186
PNG
(3-(4-{2-[4-(3-o-Tolyl-ureido)-phenyl]-acetylamino}...)
Show SMILES CC(CC(O)=O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1
Show InChI InChI=1/C26H27N3O4/c1-17-5-3-4-6-23(17)29-26(33)28-22-11-7-19(8-12-22)16-24(30)27-21-13-9-20(10-14-21)18(2)15-25(31)32/h3-14,18H,15-16H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


Article DOI: 10.1021/jm020054e
BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115176
PNG
(2-Acetylamino-3-(4-{2-[4-(3-o-tolyl-ureido)-phenyl...)
Show SMILES CC(=O)NC(Cc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1)C(O)=O
Show InChI InChI=1/C27H28N4O5/c1-17-5-3-4-6-23(17)31-27(36)30-22-13-9-20(10-14-22)16-25(33)29-21-11-7-19(8-12-21)15-24(26(34)35)28-18(2)32/h3-14,24H,15-16H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)(H2,30,31,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


Article DOI: 10.1021/jm020054e
BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50115177
PNG
(CHEMBL103602 | [3-(3-{2-[4-(3-o-Tolyl-ureido)-phen...)
Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2cccc(NC(=O)NCC(O)=O)c2)cc1
Show InChI InChI=1S/C25H25N5O5/c1-16-5-2-3-8-21(16)30-25(35)28-18-11-9-17(10-12-18)13-22(31)27-19-6-4-7-20(14-19)29-24(34)26-15-23(32)33/h2-12,14H,13,15H2,1H3,(H,27,31)(H,32,33)(H2,26,29,34)(H2,28,30,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Biogen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen 4 (VLA-4) and VCAM-Ig fusion protein interaction


J Med Chem 45: 2988-93 (2002)


Article DOI: 10.1021/jm020054e
BindingDB Entry DOI: 10.7270/Q24J0GDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348389
PNG
(US9790229, Compound 112)
Show SMILES Fc1cc(F)c(NC(=O)Nc2csc(n2)C2CCCN(C2)c2ncnc3[nH]ncc23)c(c1)N1CCCC1
Show InChI InChI=1/C24H25F2N9OS/c25-15-8-17(26)20(18(9-15)34-5-1-2-6-34)32-24(36)31-19-12-37-23(30-19)14-4-3-7-35(11-14)22-16-10-29-33-21(16)27-13-28-22/h8-10,12-14H,1-7,11H2,(H2,31,32,36)(H,27,28,29,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348390
PNG
(US9790229, Compound 113)
Show SMILES Nc1ncnc(N2CCCC(C2)c2nc(NC(=O)Nc3c(F)cc(F)cc3N3CCCC3)cs2)c1C#N
Show InChI InChI=1/C24H25F2N9OS/c25-15-8-17(26)20(18(9-15)34-5-1-2-6-34)33-24(36)32-19-12-37-23(31-19)14-4-3-7-35(11-14)22-16(10-27)21(28)29-13-30-22/h8-9,12-14H,1-7,11H2,(H2,28,29,30)(H2,32,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348412
PNG
(US9790229, Compound 135)
Show SMILES OCCN1CCN(CC1c1cccc(NC(=O)Nc2c(F)cccc2N2CCCC2)c1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C29H33FN8O2/c30-23-7-4-8-24(36-11-1-2-12-36)26(23)35-29(40)34-21-6-3-5-20(17-21)25-18-38(14-13-37(25)15-16-39)28-22-9-10-31-27(22)32-19-33-28/h3-10,17,19,25,39H,1-2,11-16,18H2,(H,31,32,33)(H2,34,35,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348423
PNG
(US9790229, Compound 146)
Show SMILES Fc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H30FN7O/c29-23-9-4-10-24(35-13-1-2-14-35)25(23)34-28(37)33-21-8-3-6-19(16-21)20-7-5-15-36(17-20)27-22-11-12-30-26(22)31-18-32-27/h3-4,6,8-12,16,18,20H,1-2,5,7,13-15,17H2,(H,30,31,32)(H2,33,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348424
PNG
(US9790229, Compound 147)
Show SMILES Fc1ccc(NC(=O)Nc2cccc(c2)C2CCCN(C2)c2ncnc3[nH]ccc23)c(c1)N1CCCC1
Show InChI InChI=1/C28H30FN7O/c29-21-8-9-24(25(16-21)35-12-1-2-13-35)34-28(37)33-22-7-3-5-19(15-22)20-6-4-14-36(17-20)27-23-10-11-30-26(23)31-18-32-27/h3,5,7-11,15-16,18,20H,1-2,4,6,12-14,17H2,(H,30,31,32)(H2,33,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348425
PNG
(US9790229, Compound 148)
Show SMILES O[C@H]1CN(C[C@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H31N7O3/c36-24-15-35(16-25(24)37)23-9-2-1-8-22(23)33-28(38)32-20-7-3-5-18(13-20)19-6-4-12-34(14-19)27-21-10-11-29-26(21)30-17-31-27/h1-3,5,7-11,13,17,19,24-25,36-37H,4,6,12,14-16H2,(H,29,30,31)(H2,32,33,38)/t19?,24-,25+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348426
PNG
(US9790229, Compound 149)
Show SMILES O[C@@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H31N7O2/c36-22-11-14-34(17-22)25-9-2-1-8-24(25)33-28(37)32-21-7-3-5-19(15-21)20-6-4-13-35(16-20)27-23-10-12-29-26(23)30-18-31-27/h1-3,5,7-10,12,15,18,20,22,36H,4,6,11,13-14,16-17H2,(H,29,30,31)(H2,32,33,37)/t20?,22-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348427
PNG
(US9790229, Compound 150)
Show SMILES O[C@H]1CN(C[C@@H]1O)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H31N7O3/c36-24-15-35(16-25(24)37)23-9-2-1-8-22(23)33-28(38)32-20-7-3-5-18(13-20)19-6-4-12-34(14-19)27-21-10-11-29-26(21)30-17-31-27/h1-3,5,7-11,13,17,19,24-25,36-37H,4,6,12,14-16H2,(H,29,30,31)(H2,32,33,38)/t19?,24-,25-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348428
PNG
(US9790229, Compound 151)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C27H30N6O/c1-18(2)22-10-3-4-11-24(22)32-27(34)31-21-9-5-7-19(15-21)20-8-6-14-33(16-20)26-23-12-13-28-25(23)29-17-30-26/h3-5,7,9-13,15,17-18,20H,6,8,14,16H2,1-2H3,(H,28,29,30)(H2,31,32,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348429
PNG
(US9790229, Compound 152)
Show SMILES OC[C@@H]1CCCN1c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C29H33N7O2/c37-18-23-9-5-15-36(23)26-11-2-1-10-25(26)34-29(38)33-22-8-3-6-20(16-22)21-7-4-14-35(17-21)28-24-12-13-30-27(24)31-19-32-28/h1-3,6,8,10-13,16,19,21,23,37H,4-5,7,9,14-15,17-18H2,(H,30,31,32)(H2,33,34,38)/t21?,23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348430
PNG
(US9790229, Compound 153)
Show SMILES Clc1cccc(Cl)c1NC(=O)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C24H22Cl2N6O/c25-19-7-2-8-20(26)21(19)31-24(33)30-17-6-1-4-15(12-17)16-5-3-11-32(13-16)23-18-9-10-27-22(18)28-14-29-23/h1-2,4,6-10,12,14,16H,3,5,11,13H2,(H,27,28,29)(H2,30,31,33)/t16-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348431
PNG
(US9790229, Compound 154)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C30H36N6O/c1-19(2)24-11-6-12-25(20(3)4)27(24)35-30(37)34-23-10-5-8-21(16-23)22-9-7-15-36(17-22)29-26-13-14-31-28(26)32-18-33-29/h5-6,8,10-14,16,18-20,22H,7,9,15,17H2,1-4H3,(H,31,32,33)(H2,34,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348432
PNG
(US9790229, Compound 155)
Show SMILES O[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H31N7O2/c36-22-11-14-34(17-22)25-9-2-1-8-24(25)33-28(37)32-21-7-3-5-19(15-21)20-6-4-13-35(16-20)27-23-10-12-29-26(23)30-18-31-27/h1-3,5,7-10,12,15,18,20,22,36H,4,6,11,13-14,16-17H2,(H,29,30,31)(H2,32,33,37)/t20?,22-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348433
PNG
(US9790229, Compound 156)
Show SMILES CC(C)(C)c1ccccc1NC(=O)Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H32N6O/c1-28(2,3)23-11-4-5-12-24(23)33-27(35)32-21-10-6-8-19(16-21)20-9-7-15-34(17-20)26-22-13-14-29-25(22)30-18-31-26/h4-6,8,10-14,16,18,20H,7,9,15,17H2,1-3H3,(H,29,30,31)(H2,32,33,35)/t20-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348434
PNG
(US9790229, Compound 157)
Show SMILES CO[C@H]1CCN(C1)c1ccccc1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C29H33N7O2/c1-38-23-12-15-35(18-23)26-10-3-2-9-25(26)34-29(37)33-22-8-4-6-20(16-22)21-7-5-14-36(17-21)28-24-11-13-30-27(24)31-19-32-28/h2-4,6,8-11,13,16,19,21,23H,5,7,12,14-15,17-18H2,1H3,(H,30,31,32)(H2,33,34,37)/t21?,23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348629
PNG
(US9790229, Compound 352)
Show SMILES Fc1cc(Cl)cc(NC2CCCN([C@H]3CN(CC[C@@H]3C(F)(F)F)c3ncnc4[nH]ccc34)C2=O)c1
Show InChI InChI=1/C23H23ClF4N6O/c24-13-8-14(25)10-15(9-13)32-18-2-1-6-34(22(18)35)19-11-33(7-4-17(19)23(26,27)28)21-16-3-5-29-20(16)30-12-31-21/h3,5,8-10,12,17-19,32H,1-2,4,6-7,11H2,(H,29,30,31)/t17-,18?,19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348630
PNG
(US9790229, Compound 353)
Show SMILES Nc1ncnc(N2CC[C@@H]([C@H](C2)N2CC[C@@H](Nc3cc(Cl)cc(Cl)c3)C2=O)C(F)(F)F)c1F
Show InChI InChI=1/C20H20Cl2F4N6O/c21-10-5-11(22)7-12(6-10)30-14-2-4-32(19(14)33)15-8-31(3-1-13(15)20(24,25)26)18-16(23)17(27)28-9-29-18/h5-7,9,13-15,30H,1-4,8H2,(H2,27,28,29)/t13-,14+,15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348632
PNG
(US9790229, Compound 355)
Show SMILES FC(F)(F)[C@H]1CCN(C[C@@H]1N1CC[C@@H](Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc2[nH]ncc12
Show InChI InChI=1/C21H20Cl2F3N7O/c22-11-5-12(23)7-13(6-11)30-16-2-4-33(20(16)34)17-9-32(3-1-15(17)21(24,25)26)19-14-8-29-31-18(14)27-10-28-19/h5-8,10,15-17,30H,1-4,9H2,(H,27,28,29,31)/t15-,16+,17-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348634
PNG
(US9790229, Compound 357)
Show SMILES Clc1cc(Cl)cc(N[C@H]2CCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1
Show InChI InChI=1/C21H22Cl2N6O/c22-13-8-14(23)10-15(9-13)27-18-4-7-29(21(18)30)16-2-1-6-28(11-16)20-17-3-5-24-19(17)25-12-26-20/h3,5,8-10,12,16,18,27H,1-2,4,6-7,11H2,(H,24,25,26)/t16-,18+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348636
PNG
(US9790229, Compound 359)
Show SMILES Nc1ncnc(N2CC(CC(F)(F)C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H21ClF4N6O/c21-11-4-12(22)6-13(5-11)29-15-2-1-3-31(19(15)32)14-7-20(24,25)9-30(8-14)18-16(23)17(26)27-10-28-18/h4-6,10,14-15,29H,1-3,7-9H2,(H2,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348637
PNG
(US9790229, Compound 360)
Show SMILES Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1
Show InChI InChI=1/C21H23ClFN7O/c22-13-7-14(23)9-15(8-13)27-18-4-2-6-30(21(18)31)16-3-1-5-29(11-16)20-17-10-26-28-19(17)24-12-25-20/h7-10,12,16,18,27H,1-6,11H2,(H,24,25,26,28)/t16-,18?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348638
PNG
(US9790229, Compound 361)
Show SMILES Nc1cc(ncn1)N1CCC[C@H](C1)N1CCCC(Nc2cc(F)cc(Cl)c2)C1=O
Show InChI InChI=1/C20H24ClFN6O/c21-13-7-14(22)9-15(8-13)26-17-4-2-6-28(20(17)29)16-3-1-5-27(11-16)19-10-18(23)24-12-25-19/h7-10,12,16-17,26H,1-6,11H2,(H2,23,24,25)/t16-,17?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348314
PNG
(US9790229, Compound 37)
Show SMILES O=C(Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1
Show InChI InChI=1/C28H31N7O/c36-28(33-24-10-1-2-11-25(24)34-14-3-4-15-34)32-22-9-5-7-20(17-22)21-8-6-16-35(18-21)27-23-12-13-29-26(23)30-19-31-27/h1-2,5,7,9-13,17,19,21H,3-4,6,8,14-16,18H2,(H,29,30,31)(H2,32,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348323
PNG
(US9790229, Compound 46)
Show SMILES O=C(Nc1cccc(c1)[C@H]1CCCN(C1)c1ncnc2[nH]ccc12)Nc1ccccc1N1CCCC1
Show InChI InChI=1/C28H31N7O/c36-28(33-24-10-1-2-11-25(24)34-14-3-4-15-34)32-22-9-5-7-20(17-22)21-8-6-16-35(18-21)27-23-12-13-29-26(23)30-19-31-27/h1-2,5,7,9-13,17,19,21H,3-4,6,8,14-16,18H2,(H,29,30,31)(H2,32,33,36)/t21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348326
PNG
(US9790229, Compound 49)
Show SMILES O=CNc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C18H19N5O/c24-12-22-15-5-1-3-13(9-15)14-4-2-8-23(10-14)18-16-6-7-19-17(16)20-11-21-18/h1,3,5-7,9,11-12,14H,2,4,8,10H2,(H,22,24)(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348327
PNG
(US9790229, Compound 50)
Show SMILES Clc1cccc(N2CCCC2)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C28H30ClN7O/c29-23-9-4-10-24(35-13-1-2-14-35)25(23)34-28(37)33-21-8-3-6-19(16-21)20-7-5-15-36(17-20)27-22-11-12-30-26(22)31-18-32-27/h3-4,6,8-12,16,18,20H,1-2,5,7,13-15,17H2,(H,30,31,32)(H2,33,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348329
PNG
(US9790229, Compound 52)
Show SMILES C[C@@H]1CCCN1c1cccc(F)c1NC(=O)Nc1cccc(c1)C1CCCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1/C29H32FN7O/c1-19-6-4-15-37(19)25-11-3-10-24(30)26(25)35-29(38)34-22-9-2-7-20(16-22)21-8-5-14-36(17-21)28-23-12-13-31-27(23)32-18-33-28/h2-3,7,9-13,16,18-19,21H,4-6,8,14-15,17H2,1H3,(H,31,32,33)(H2,34,35,38)/t19-,21?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348552
PNG
(US9790229, Compound 275)
Show SMILES Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1
Show InChI InChI=1/C22H24ClFN6O/c23-14-9-15(24)11-16(10-14)28-19-4-2-8-30(22(19)31)17-3-1-7-29(12-17)21-18-5-6-25-20(18)26-13-27-21/h5-6,9-11,13,17,19,28H,1-4,7-8,12H2,(H,25,26,27)/t17-,19?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348553
PNG
(US9790229, Compound 276)
Show SMILES Clc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1
Show InChI InChI=1/C22H24Cl2N6O/c23-14-9-15(24)11-16(10-14)28-19-4-2-8-30(22(19)31)17-3-1-7-29(12-17)21-18-5-6-25-20(18)26-13-27-21/h5-6,9-11,13,17,19,28H,1-4,7-8,12H2,(H,25,26,27)/t17-,19?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348554
PNG
(US9790229, Compound 277)
Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H23ClF2N6O/c21-12-7-13(22)9-14(8-12)27-16-4-2-6-29(20(16)30)15-3-1-5-28(10-15)19-17(23)18(24)25-11-26-19/h7-9,11,15-16,27H,1-6,10H2,(H2,24,25,26)/t15-,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348555
PNG
(US9790229, Compound 278)
Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H23Cl2FN6O/c21-12-7-13(22)9-14(8-12)27-16-4-2-6-29(20(16)30)15-3-1-5-28(10-15)19-17(23)18(24)25-11-26-19/h7-9,11,15-16,27H,1-6,10H2,(H2,24,25,26)/t15-,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348556
PNG
(US9790229, Compound 279)
Show SMILES Nc1ncnc(N2C[C@@H](F)C[C@H](C2)N2CCCC(Nc3cc(F)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H22ClF3N6O/c21-11-4-12(22)6-14(5-11)28-16-2-1-3-30(20(16)31)15-7-13(23)8-29(9-15)19-17(24)18(25)26-10-27-19/h4-6,10,13,15-16,28H,1-3,7-9H2,(H2,25,26,27)/t13-,15+,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348557
PNG
(US9790229, Compound 280)
Show SMILES Nc1ncnc(N2C[C@@H](F)C[C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H22Cl2F2N6O/c21-11-4-12(22)6-14(5-11)28-16-2-1-3-30(20(16)31)15-7-13(23)8-29(9-15)19-17(24)18(25)26-10-27-19/h4-6,10,13,15-16,28H,1-3,7-9H2,(H2,25,26,27)/t13-,15+,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348558
PNG
(US9790229, Compound 281)
Show SMILES C[C@H]1CCN(C[C@@H]1N1CCCC(Nc2cc(Cl)cc(Cl)c2)C1=O)c1ncnc(N)c1F
Show InChI InChI=1/C21H25Cl2FN6O/c1-12-4-6-29(20-18(24)19(25)26-11-27-20)10-17(12)30-5-2-3-16(21(30)31)28-15-8-13(22)7-14(23)9-15/h7-9,11-12,16-17,28H,2-6,10H2,1H3,(H2,25,26,27)/t12-,16?,17-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348559
PNG
(US9790229, Compound 282)
Show SMILES C[C@H]1CCN(C[C@@H]1N1CCCC(Nc2cccc(Cl)c2)C1=O)c1ncnc(N)c1F
Show InChI InChI=1/C21H26ClFN6O/c1-13-7-9-28(20-18(23)19(24)25-12-26-20)11-17(13)29-8-3-6-16(21(29)30)27-15-5-2-4-14(22)10-15/h2,4-5,10,12-13,16-17,27H,3,6-9,11H2,1H3,(H2,24,25,26)/t13-,16?,17-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348560
PNG
(US9790229, Compound 283)
Show SMILES Nc1ncnc(N2C[C@@H](O)C[C@H](C2)N2CCCC(Nc3cc(Cl)cc(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H23Cl2FN6O2/c21-11-4-12(22)6-13(5-11)27-16-2-1-3-29(20(16)31)14-7-15(30)9-28(8-14)19-17(23)18(24)25-10-26-19/h4-6,10,14-16,27,30H,1-3,7-9H2,(H2,24,25,26)/t14-,15+,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348562
PNG
(US9790229, Compound 285)
Show SMILES Fc1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3c(cnc4[nH]ccc34)C#N)C2=O)c1
Show InChI InChI=1/C24H24ClFN6O/c25-16-9-17(26)11-18(10-16)30-21-4-2-8-32(24(21)33)19-3-1-7-31(14-19)22-15(12-27)13-29-23-20(22)5-6-28-23/h5-6,9-11,13,19,21,30H,1-4,7-8,14H2,(H,28,29)/t19-,21?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348577
PNG
(US9790229, Compound 300)
Show SMILES FC(F)(F)c1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)c1
Show InChI InChI=1/C23H24ClF3N6O/c24-15-9-14(23(25,26)27)10-16(11-15)31-19-4-2-8-33(22(19)34)17-3-1-7-32(12-17)21-18-5-6-28-20(18)29-13-30-21/h5-6,9-11,13,17,19,31H,1-4,7-8,12H2,(H,28,29,30)/t17-,19?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348578
PNG
(US9790229, Compound 301)
Show SMILES Fc1c(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)cc1Cl
Show InChI InChI=1/C22H23Cl2FN6O/c23-16-9-13(10-17(24)19(16)25)29-18-4-2-8-31(22(18)32)14-3-1-7-30(11-14)21-15-5-6-26-20(15)27-12-28-21/h5-6,9-10,12,14,18,29H,1-4,7-8,11H2,(H,26,27,28)/t14-,18?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348579
PNG
(US9790229, Compound 302)
Show SMILES FC(F)(F)c1cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ccc34)C2=O)cc(c1)C(F)(F)F
Show InChI InChI=1/C24H24F6N6O/c25-23(26,27)14-9-15(24(28,29)30)11-16(10-14)34-19-4-2-8-36(22(19)37)17-3-1-7-35(12-17)21-18-5-6-31-20(18)32-13-33-21/h5-6,9-11,13,17,19,34H,1-4,7-8,12H2,(H,31,32,33)/t17-,19?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348582
PNG
(US9790229, Compound 305)
Show SMILES FC(F)(F)c1cc(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)c1
Show InChI InChI=1/C22H23ClF3N7O/c23-14-7-13(22(24,25)26)8-15(9-14)30-18-4-2-6-33(21(18)34)16-3-1-5-32(11-16)20-17-10-29-31-19(17)27-12-28-20/h7-10,12,16,18,30H,1-6,11H2,(H,27,28,29,31)/t16-,18?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348583
PNG
(US9790229, Compound 306)
Show SMILES Fc1c(Cl)cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)cc1Cl
Show InChI InChI=1/C21H22Cl2FN7O/c22-15-7-12(8-16(23)18(15)24)28-17-4-2-6-31(21(17)32)13-3-1-5-30(10-13)20-14-9-27-29-19(14)25-11-26-20/h7-9,11,13,17,28H,1-6,10H2,(H,25,26,27,29)/t13-,17?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348584
PNG
(US9790229, Compound 307)
Show SMILES FC(F)(F)c1cc(NC2CCCN([C@@H]3CCCN(C3)c3ncnc4[nH]ncc34)C2=O)cc(c1)C(F)(F)F
Show InChI InChI=1/C23H23F6N7O/c24-22(25,26)13-7-14(23(27,28)29)9-15(8-13)33-18-4-2-6-36(21(18)37)16-3-1-5-35(11-16)20-17-10-32-34-19(17)30-12-31-20/h7-10,12,16,18,33H,1-6,11H2,(H,30,31,32,34)/t16-,18?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348585
PNG
(US9790229, Compound 308)
Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(Cl)cc(c3)C(F)(F)F)C2=O)c1F
Show InChI InChI=1/C21H23ClF4N6O/c22-13-7-12(21(24,25)26)8-14(9-13)30-16-4-2-6-32(20(16)33)15-3-1-5-31(10-15)19-17(23)18(27)28-11-29-19/h7-9,11,15-16,30H,1-6,10H2,(H2,27,28,29)/t15-,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348586
PNG
(US9790229, Compound 309)
Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(Cl)c(F)c(Cl)c3)C2=O)c1F
Show InChI InChI=1/C20H22Cl2F2N6O/c21-13-7-11(8-14(22)16(13)23)28-15-4-2-6-30(20(15)31)12-3-1-5-29(9-12)19-17(24)18(25)26-10-27-19/h7-8,10,12,15,28H,1-6,9H2,(H2,25,26,27)/t12-,15?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM348587
PNG
(US9790229, Compound 310)
Show SMILES Nc1ncnc(N2CCC[C@H](C2)N2CCCC(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2=O)c1F
Show InChI InChI=1/C22H23F7N6O/c23-17-18(30)31-11-32-19(17)34-5-1-3-15(10-34)35-6-2-4-16(20(35)36)33-14-8-12(21(24,25)26)7-13(9-14)22(27,28)29/h7-9,11,15-16,33H,1-6,10H2,(H2,30,31,32)/t15-,16?/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Sunesis Pharmaceuticals, Inc.; Biogen MA Inc.

US Patent


Assay Description
The purpose of the BTK in vitro assay is to determine compound potency against BTK through the measurement of IC50. Compound inhibition is measured a...


US Patent US9790229 (2017)


Article DOI: 10.1016/j.bmcl.2007.01.039
BindingDB Entry DOI: 10.7270/Q22809RK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 382 total )  |  Next  |  Last  >>
Jump to: