BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 255 hits of ec50 data for polymerid = 1846   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (human))
BDBM267665
PNG
((R)-4-(4-amino-1-(1-(2-cyano-2-methylpropanoyl)pip...)
Show SMILES COCCOCCOCCOCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C33H39F3N8O6/c1-47-13-14-49-17-18-50-16-15-48-12-9-27(45)43-11-2-3-25(20-43)44-31-28(30(37)39-21-40-31)29(42-44)22-4-6-23(7-5-22)32(46)41-26-19-24(8-10-38-26)33(34,35)36/h4-8,10,19,21,25H,2-3,9,11-18,20H2,1H3,(H2,37,39,40)(H,38,41,46)/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267667
PNG
((R)-4-(4-amino-1-(1-(2,2,2-trichloroacetyl)piperid...)
Show SMILES CC1(CCC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C29H29F3N8O2/c1-28(10-3-11-28)27(42)39-13-2-4-20(15-39)40-25-22(24(33)35-16-36-25)23(38-40)17-5-7-18(8-6-17)26(41)37-21-14-19(9-12-34-21)29(30,31)32/h5-9,12,14,16,20H,2-4,10-11,13,15H2,1H3,(H2,33,35,36)(H,34,37,41)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267668
PNG
((R)-4-(4-amino-1-(1-(1-methylcyclobutanecarbonyl) ...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C28H27F3N8O3/c1-27(13-42-14-27)26(41)38-10-2-3-19(12-38)39-24-21(23(32)34-15-35-24)22(37-39)16-4-6-17(7-5-16)25(40)36-20-11-18(8-9-33-20)28(29,30)31/h4-9,11,15,19H,2-3,10,12-14H2,1H3,(H2,32,34,35)(H,33,36,40)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267669
PNG
((R)-4-(4-amino-1-(1-(3-methyloxetane-3-carbonyl)pi...)
Show SMILES CCNC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C26H26F3N9O2/c1-2-31-25(40)37-11-3-4-18(13-37)38-23-20(22(30)33-14-34-23)21(36-38)15-5-7-16(8-6-15)24(39)35-19-12-17(9-10-32-19)26(27,28)29/h5-10,12,14,18H,2-4,11,13H2,1H3,(H,31,40)(H2,30,33,34)(H,32,35,39)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267670
PNG
((R)-3-(4-amino-3-(4-(4-(trifluoromethyl)pyridin-2-...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC1
Show InChI InChI=1S/C27H25F3N8O2/c28-27(29,30)18-9-10-32-20(12-18)35-25(39)16-5-3-15(4-6-16)22-21-23(31)33-14-34-24(21)38(36-22)19-2-1-11-37(13-19)26(40)17-7-8-17/h3-6,9-10,12,14,17,19H,1-2,7-8,11,13H2,(H2,31,33,34)(H,32,35,39)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267672
PNG
((R)-4-(4-amino-1-(1-(2-fluoro-2-methylpropanoyl)pi...)
Show SMILES CCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C26H25F3N8O2/c1-2-20(38)36-11-3-4-18(13-36)37-24-21(23(30)32-14-33-24)22(35-37)15-5-7-16(8-6-15)25(39)34-19-12-17(9-10-31-19)26(27,28)29/h5-10,12,14,18H,2-4,11,13H2,1H3,(H2,30,32,33)(H,31,34,39)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267674
PNG
((R)-4-(4-amino-1-(1-(1-(methoxymethyl) cyclobutane...)
Show SMILES CCOC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C26H25F3N8O3/c1-2-40-25(39)36-11-3-4-18(13-36)37-23-20(22(30)32-14-33-23)21(35-37)15-5-7-16(8-6-15)24(38)34-19-12-17(9-10-31-19)26(27,28)29/h5-10,12,14,18H,2-4,11,13H2,1H3,(H2,30,32,33)(H,31,34,38)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267676
PNG
((R)-4-(4-amino-1-(1-(2,2,2-trifluoroacetyl)piperid...)
Show SMILES COCCOCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C29H31F3N8O4/c1-43-13-14-44-12-9-23(41)39-11-2-3-21(16-39)40-27-24(26(33)35-17-36-27)25(38-40)18-4-6-19(7-5-18)28(42)37-22-15-20(8-10-34-22)29(30,31)32/h4-8,10,15,17,21H,2-3,9,11-14,16H2,1H3,(H2,33,35,36)(H,34,37,42)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267677
PNG
((R)-4-(4-amino-1-(1-(3-(2-methoxyethoxy)propanoyl)...)
Show SMILES CSCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C27H27F3N8O2S/c1-41-12-9-21(39)37-11-2-3-19(14-37)38-25-22(24(31)33-15-34-25)23(36-38)16-4-6-17(7-5-16)26(40)35-20-13-18(8-10-32-20)27(28,29)30/h4-8,10,13,15,19H,2-3,9,11-12,14H2,1H3,(H2,31,33,34)(H,32,35,40)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267678
PNG
((R)-4-(4-amino-1-(1-(3-(methylthio)propanoyl)piper...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CCC1
Show InChI InChI=1S/C28H27F3N8O2/c29-28(30,31)19-10-11-33-21(13-19)36-26(40)17-8-6-16(7-9-17)23-22-24(32)34-15-35-25(22)39(37-23)20-5-2-12-38(14-20)27(41)18-3-1-4-18/h6-11,13,15,18,20H,1-5,12,14H2,(H2,32,34,35)(H,33,36,40)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267679
PNG
((R)-4-(4-amino-1-(1-(cyclobutanecarbonyl)piperidin...)
Show SMILES Nc1ncnc2n(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1
Show InChI InChI=1S/C28H25F5N8O2/c29-27(30)11-17(12-27)26(43)40-9-1-2-19(13-40)41-24-21(23(34)36-14-37-24)22(39-41)15-3-5-16(6-4-15)25(42)38-20-10-18(7-8-35-20)28(31,32)33/h3-8,10,14,17,19H,1-2,9,11-13H2,(H2,34,36,37)(H,35,38,42)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267681
PNG
((R)-4-(4-amino-1-(1-isobutyrylpiperidin-3-yl)-1H-p...)
Show SMILES COCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C27H27F3N8O3/c1-41-12-9-21(39)37-11-2-3-19(14-37)38-25-22(24(31)33-15-34-25)23(36-38)16-4-6-17(7-5-16)26(40)35-20-13-18(8-10-32-20)27(28,29)30/h4-8,10,13,15,19H,2-3,9,11-12,14H2,1H3,(H2,31,33,34)(H,32,35,40)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267682
PNG
((R)-4-(4-amino-1-(1-(3-methoxypropanoyl)piperidin-...)
Show SMILES CCOCCC(=O)N1CCC[C@H](C1)n1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncnc12
Show InChI InChI=1S/C28H29F3N8O3/c1-2-42-13-10-22(40)38-12-3-4-20(15-38)39-26-23(25(32)34-16-35-26)24(37-39)17-5-7-18(8-6-17)27(41)36-21-14-19(9-11-33-21)28(29,30)31/h5-9,11,14,16,20H,2-4,10,12-13,15H2,1H3,(H2,32,34,35)(H,33,36,41)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267684
PNG
(4-(8-amino-3-((R)-1-(3-methoxypropanoyl)piperidin-...)
Show SMILES COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C27H28FN7O3/c1-38-14-9-22(36)34-12-4-5-18(16-34)26-33-23(24-25(29)31-11-13-35(24)26)19-8-7-17(15-20(19)28)27(37)32-21-6-2-3-10-30-21/h2-3,6-8,10-11,13,15,18H,4-5,9,12,14,16H2,1H3,(H2,29,31)(H,30,32,37)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267689
PNG
((R)-6-(8-amino-3-(1-(3-methoxypropanoyl)piperidin-...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)[C@H](O)CO
Show InChI InChI=1S/C29H31N7O4/c30-26-25-24(18-5-7-19(8-6-18)28(39)33-23-14-20(9-10-31-23)17-3-4-17)34-27(36(25)13-11-32-26)21-2-1-12-35(15-21)29(40)22(38)16-37/h5-11,13-14,17,21-22,37-38H,1-4,12,15-16H2,(H2,30,32)(H,31,33,39)/t21-,22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267697
PNG
(5-chloro-1-iodo-3-(tetrahydro-2H-pyran-4-yl)imidaz...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCOCC3)n3c(Cl)cnc(N)c23)c1
Show InChI InChI=1S/C26H27ClN6O2/c1-2-3-16-8-11-29-21(14-16)31-26(34)19-6-4-17(5-7-19)22-23-24(28)30-15-20(27)33(23)25(32-22)18-9-12-35-13-10-18/h4-8,11,14-15,18H,2-3,9-10,12-13H2,1H3,(H2,28,30)(H,29,31,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267698
PNG
((R)-benzyl 3-(5-bromo-8-((2,4-dimethoxybenzyl)amin...)
Show SMILES COC(=O)c1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C31H30F3N7O5/c1-30(15-46-16-30)29(44)40-11-3-4-19(14-40)26-39-23(24-25(35)37-13-21(41(24)26)28(43)45-2)17-5-7-18(8-6-17)27(42)38-22-12-20(9-10-36-22)31(32,33)34/h5-10,12-13,19H,3-4,11,14-16H2,1-2H3,(H2,35,37)(H,36,38,42)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267699
PNG
((R)-ethyl 8-amino-3-(1-(3-methyloxetane-3-carbonyl...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C(O)=O)n12
Show InChI InChI=1S/C30H28F3N7O5/c1-29(14-45-15-29)28(44)39-10-2-3-18(13-39)25-38-22(23-24(34)36-12-20(27(42)43)40(23)25)16-4-6-17(7-5-16)26(41)37-21-11-19(8-9-35-21)30(31,32)33/h4-9,11-12,18H,2-3,10,13-15H2,1H3,(H2,34,36)(H,42,43)(H,35,37,41)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267700
PNG
((R)-8-amino-3-(1-(3-methyloxetane-3-carbonyl)piper...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12
Show InChI InChI=1S/C29H27ClF3N7O3/c1-28(14-43-15-28)27(42)39-10-2-3-18(13-39)25-38-22(23-24(34)36-12-20(30)40(23)25)16-4-6-17(7-5-16)26(41)37-21-11-19(8-9-35-21)29(31,32)33/h4-9,11-12,18H,2-3,10,13-15H2,1H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267701
PNG
((R)-4-(8-amino-5-chloro-3-(1-(3-methyloxetane-3-ca...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(C=C)n12
Show InChI InChI=1S/C31H30F3N7O3/c1-3-22-14-37-26(35)25-24(39-27(41(22)25)20-5-4-12-40(15-20)29(43)30(2)16-44-17-30)18-6-8-19(9-7-18)28(42)38-23-13-21(10-11-36-23)31(32,33)34/h3,6-11,13-14,20H,1,4-5,12,15-17H2,2H3,(H2,35,37)(H,36,38,42)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267702
PNG
((R)-4-(8-amino-5-cyclopropyl-3-(1-(3-methyloxetane...)
Show SMILES COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H28F3N7O3/c1-41-14-9-22(39)37-12-2-3-19(16-37)26-36-23(24-25(32)34-11-13-38(24)26)17-4-6-18(7-5-17)27(40)35-21-15-20(8-10-33-21)28(29,30)31/h4-8,10-11,13,15,19H,2-3,9,12,14,16H2,1H3,(H2,32,34)(H,33,35,40)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267703
PNG
((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267704
PNG
((R)-4-(8-amino-5-deutero-3-(1-(3-methyloxetane-3-c...)
Show SMILES Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C30H30F3N7O3/c1-17-13-36-25(34)24-23(38-26(40(17)24)20-4-3-11-39(14-20)28(42)29(2)15-43-16-29)18-5-7-19(8-6-18)27(41)37-22-12-21(9-10-35-22)30(31,32)33/h5-10,12-13,20H,3-4,11,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267705
PNG
((R)-4-(8-amino-5-methyl-3-(1-(3-methyloxetane-3-ca...)
Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1
Show InChI InChI=1S/C24H21ClF3N7O/c25-17-12-32-21(29)20-19(34-22(35(17)20)15-2-1-8-30-11-15)13-3-5-14(6-4-13)23(36)33-18-10-16(7-9-31-18)24(26,27)28/h3-7,9-10,12,15,30H,1-2,8,11H2,(H2,29,32)(H,31,33,36)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267706
PNG
((R)-4-(8-amino-3-(piperidin-3-yl)imidazo[1,5-a]pyr...)
Show SMILES CCc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C31H32F3N7O3/c1-3-22-14-37-26(35)25-24(39-27(41(22)25)20-5-4-12-40(15-20)29(43)30(2)16-44-17-30)18-6-8-19(9-7-18)28(42)38-23-13-21(10-11-36-23)31(32,33)34/h6-11,13-14,20H,3-5,12,15-17H2,1-2H3,(H2,35,37)(H,36,38,42)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267707
PNG
((R)-4-(8-amino-5-ethyl-3-(1-(3-methyloxetane-3-car...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(\C=C\c3ccccc3)n12
Show InChI InChI=1S/C37H34F3N7O3/c1-36(21-50-22-36)35(49)46-17-5-8-26(20-46)33-45-30(31-32(41)43-19-28(47(31)33)14-9-23-6-3-2-4-7-23)24-10-12-25(13-11-24)34(48)44-29-18-27(15-16-42-29)37(38,39)40/h2-4,6-7,9-16,18-19,26H,5,8,17,20-22H2,1H3,(H2,41,43)(H,42,44,48)/b14-9+/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267708
PNG
((R,E)-4-(8-amino-3-(1-(3-methyloxetane-3-carbonyl)...)
Show SMILES COCCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(\C=C\c3ccccc3)n12
Show InChI InChI=1S/C36H34F3N7O3/c1-49-19-16-30(47)45-18-5-8-26(22-45)34-44-31(32-33(40)42-21-28(46(32)34)14-9-23-6-3-2-4-7-23)24-10-12-25(13-11-24)35(48)43-29-20-27(15-17-41-29)36(37,38)39/h2-4,6-7,9-15,17,20-21,26H,5,8,16,18-19,22H2,1H3,(H2,40,42)(H,41,43,48)/b14-9+/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267709
PNG
((R,E)-4-(8-amino-3-(1-(3-methoxypropanoyl)piperidi...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(-c3ccco3)n12
Show InChI InChI=1S/C33H30F3N7O4/c1-32(17-46-18-32)31(45)42-12-2-4-21(16-42)29-41-26(27-28(37)39-15-23(43(27)29)24-5-3-13-47-24)19-6-8-20(9-7-19)30(44)40-25-14-22(10-11-38-25)33(34,35)36/h3,5-11,13-15,21H,2,4,12,16-18H2,1H3,(H2,37,39)(H,38,40,44)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267711
PNG
(US9718828, Example, 313 | methyl 8-amino-3-methyl-...)
Show SMILES Nc1ncc(\C=C\c2ccccc2)n2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCOCC1
Show InChI InChI=1S/C31H28N6O2/c32-29-28-27(22-10-12-24(13-11-22)31(38)35-26-8-4-5-17-33-26)36-30(23-15-18-39-19-16-23)37(28)25(20-34-29)14-9-21-6-2-1-3-7-21/h1-14,17,20,23H,15-16,18-19H2,(H2,32,34)(H,33,35,38)/b14-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267712
PNG
((E)-4-(8-amino-5-styryl-3-(tetrahydro-2H-pyran-4-y...)
Show SMILES COCCC(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12
Show InChI InChI=1S/C27H25ClF3N7O4/c1-41-10-7-21(39)37-9-11-42-18(14-37)25-36-22(23-24(32)34-13-19(28)38(23)25)15-2-4-16(5-3-15)26(40)35-20-12-17(6-8-33-20)27(29,30)31/h2-6,8,12-13,18H,7,9-11,14H2,1H3,(H2,32,34)(H,33,35,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267713
PNG
(4-(8-amino-5-chloro-3-(4-(3-methoxypropanoyl) morp...)
Show SMILES CC1(COC1)C(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(Cl)n12
Show InChI InChI=1S/C28H25ClF3N7O4/c1-27(13-42-14-27)26(41)38-8-9-43-18(12-38)24-37-21(22-23(33)35-11-19(29)39(22)24)15-2-4-16(5-3-15)25(40)36-20-10-17(6-7-34-20)28(30,31)32/h2-7,10-11,18H,8-9,12-14H2,1H3,(H2,33,35)(H,34,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267714
PNG
(4-(8-amino-5-chloro-3-(4-(3-methyloxetane-3-carbon...)
Show SMILES Nc1ncc(Cl)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CN(CCO1)C(=O)C1(O)CCC1
Show InChI InChI=1S/C28H25ClF3N7O4/c29-19-13-35-23(33)22-21(37-24(39(19)22)18-14-38(10-11-43-18)26(41)27(42)7-1-8-27)15-2-4-16(5-3-15)25(40)36-20-12-17(6-9-34-20)28(30,31)32/h2-6,9,12-13,18,42H,1,7-8,10-11,14H2,(H2,33,35)(H,34,36,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267704
PNG
((R)-4-(8-amino-5-deutero-3-(1-(3-methyloxetane-3-c...)
Show SMILES Cc1cnc(N)c2c(nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)n12)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C(F)(F)F
Show InChI InChI=1S/C30H30F3N7O3/c1-17-13-36-25(34)24-23(38-26(40(17)24)20-4-3-11-39(14-20)28(42)29(2)15-43-16-29)18-5-7-19(8-6-18)27(41)37-22-12-21(9-10-35-22)30(31,32)33/h5-10,12-13,20H,3-4,11,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267716
PNG
((R)-4-(8-amino-5-deuteromethyl-3-(1-(3-methyloxeta...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(\C=C\c3ccc(F)cc3)n12
Show InChI InChI=1S/C37H33F4N7O3/c1-36(20-51-21-36)35(50)47-16-2-3-25(19-47)33-46-30(31-32(42)44-18-28(48(31)33)13-6-22-4-11-27(38)12-5-22)23-7-9-24(10-8-23)34(49)45-29-17-26(14-15-43-29)37(39,40)41/h4-15,17-18,25H,2-3,16,19-21H2,1H3,(H2,42,44)(H,43,45,49)/b13-6+/t25-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267717
PNG
((R,E)-4-(8-amino-5-(4-fluorostyryl)-3-(1-(3-methyl...)
Show SMILES CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)ncc(CCc3ccccc3)n12
Show InChI InChI=1S/C37H36F3N7O3/c1-36(21-50-22-36)35(49)46-17-5-8-26(20-46)33-45-30(31-32(41)43-19-28(47(31)33)14-9-23-6-3-2-4-7-23)24-10-12-25(13-11-24)34(48)44-29-18-27(15-16-42-29)37(38,39)40/h2-4,6-7,10-13,15-16,18-19,26H,5,8-9,14,17,20-22H2,1H3,(H2,41,43)(H,42,44,48)/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267587
PNG
(4-(8-amino-3-(4-(3-methyloxetane-3-carbonyl)morpho...)
Show SMILES CCNC(=O)N1CCOC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C26H25F3N8O3/c1-2-31-25(39)36-11-12-40-18(14-36)23-35-20(21-22(30)33-9-10-37(21)23)15-3-5-16(6-4-15)24(38)34-19-13-17(7-8-32-19)26(27,28)29/h3-10,13,18H,2,11-12,14H2,1H3,(H2,30,33)(H,31,39)(H,32,34,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267588
PNG
(4-(8-amino-3-((cis)-5-hydroxy-1-(3-methyloxetane-3...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1C[C@H](O)CN(C1)C(=O)C1CC1
Show InChI InChI=1S/C28H26F3N7O3/c29-28(30,31)19-7-8-33-21(12-19)35-26(40)16-3-1-15(2-4-16)22-23-24(32)34-9-10-38(23)25(36-22)18-11-20(39)14-37(13-18)27(41)17-5-6-17/h1-4,7-10,12,17-18,20,39H,5-6,11,13-14H2,(H2,32,34)(H,33,35,40)/t18-,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267589
PNG
(4-(8-amino-3-((cis)-1-(cyclopropanecarbonyl)-5-hyd...)
Show SMILES COCCC(=O)N1C[C@@H](O)C[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H28F3N7O4/c1-42-11-7-22(40)37-14-18(12-20(39)15-37)26-36-23(24-25(32)34-9-10-38(24)26)16-2-4-17(5-3-16)27(41)35-21-13-19(6-8-33-21)28(29,30)31/h2-6,8-10,13,18,20,39H,7,11-12,14-15H2,1H3,(H2,32,34)(H,33,35,41)/t18-,20+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267590
PNG
((trans)-ethyl 5-(8-amino-1-(4-(4-(trifluoromethyl)...)
Show SMILES COCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
Show InChI InChI=1S/C31H35N7O3/c1-19-3-4-24(18-38(19)26(39)12-16-41-2)30-36-27(28-29(32)34-14-15-37(28)30)21-7-9-22(10-8-21)31(40)35-25-17-23(11-13-33-25)20-5-6-20/h7-11,13-15,17,19-20,24H,3-6,12,16,18H2,1-2H3,(H2,32,34)(H,33,35,40)/t19-,24+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267591
PNG
(4-(8-amino-3-((cis)-1-(3-methoxypropanoyl)-6-methy...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)N1CCCCC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
Show InChI InChI=1S/C33H38N8O2/c1-21-5-6-26(20-41(21)33(43)39-16-3-2-4-17-39)31-38-28(29-30(34)36-15-18-40(29)31)23-9-11-24(12-10-23)32(42)37-27-19-25(13-14-35-27)22-7-8-22/h9-15,18-19,21-22,26H,2-8,16-17,20H2,1H3,(H2,34,36)(H,35,37,42)/t21-,26+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267593
PNG
(4-(8-amino-3-((trans)-6-methyl-1-(tetrahydrofuran-...)
Show SMILES CCNC(=O)N1C[C@@H](CC[C@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C28H29F3N8O2/c1-3-33-27(41)39-15-19(5-4-16(39)2)25-37-22(23-24(32)35-12-13-38(23)25)17-6-8-18(9-7-17)26(40)36-21-14-20(10-11-34-21)28(29,30)31/h6-14,16,19H,3-5,15H2,1-2H3,(H2,32,35)(H,33,41)(H,34,36,40)/t16-,19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267596
PNG
(4-(8-amino-3-((trans)-1-(cyclopropanecarbonyl)-6-m...)
Show SMILES CCOCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H32F3N7O3/c1-3-43-15-11-24(41)40-17-21(5-4-18(40)2)28-38-25(26-27(34)36-13-14-39(26)28)19-6-8-20(9-7-19)29(42)37-23-16-22(10-12-35-23)30(31,32)33/h6-10,12-14,16,18,21H,3-5,11,15,17H2,1-2H3,(H2,34,36)(H,35,37,42)/t18-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267597
PNG
(4-(8-amino-3-((cis)-1-(3-ethoxypropanoyl)-6-methyl...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCC1(F)F)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H28F5N7O2/c1-16-2-3-19(15-42(16)28(44)21-8-10-29(21,31)32)26-40-23(24-25(36)38-12-13-41(24)26)17-4-6-18(7-5-17)27(43)39-22-14-20(9-11-37-22)30(33,34)35/h4-7,9,11-14,16,19,21H,2-3,8,10,15H2,1H3,(H2,36,38)(H,37,39,43)/t16-,19+,21?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267598
PNG
(4-(8-amino-3-((cis)-1-(2,2-difluorocyclobutanecarb...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)CC1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C29H31N7O2/c1-18-5-8-22(17-36(18)24(37)16-19-6-7-19)28-34-25(26-27(30)32-14-15-35(26)28)20-9-11-21(12-10-20)29(38)33-23-4-2-3-13-31-23/h2-4,9-15,18-19,22H,5-8,16-17H2,1H3,(H2,30,32)(H,31,33,38)/t18-,22+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267599
PNG
(4-(8-amino-3-((cis)-1-(2-cyclopropylacetyl)-6-meth...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C28H29N7O2/c1-17-5-6-21(16-35(17)28(37)20-11-12-20)26-33-23(24-25(29)31-14-15-34(24)26)18-7-9-19(10-8-18)27(36)32-22-4-2-3-13-30-22/h2-4,7-10,13-15,17,20-21H,5-6,11-12,16H2,1H3,(H2,29,31)(H,30,32,36)/t17-,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267600
PNG
(4-(8-amino-3-((cis)-1-(cyclopropanecarbonyl)-6-met...)
Show SMILES CCNC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Show InChI InChI=1S/C27H30N8O2/c1-3-29-27(37)35-16-20(8-7-17(35)2)25-33-22(23-24(28)31-14-15-34(23)25)18-9-11-19(12-10-18)26(36)32-21-6-4-5-13-30-21/h4-6,9-15,17,20H,3,7-8,16H2,1-2H3,(H2,28,31)(H,29,37)(H,30,32,36)/t17-,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267601
PNG
((cis)-5-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)pheny...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCCO1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C30H30F3N7O3/c1-17-4-5-20(16-40(17)29(42)22-3-2-14-43-22)27-38-24(25-26(34)36-12-13-39(25)27)18-6-8-19(9-7-18)28(41)37-23-15-21(10-11-35-23)30(31,32)33/h6-13,15,17,20,22H,2-5,14,16H2,1H3,(H2,34,36)(H,35,37,41)/t17-,20+,22?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267602
PNG
(4-(8-amino-3-((cis)-6-methyl-1-(tetrahydrofuran-2-...)
Show SMILES CSCCC(=O)N1C[C@@H](CC[C@@H]1C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show InChI InChI=1S/C29H30F3N7O2S/c1-17-3-4-20(16-39(17)23(40)10-14-42-2)27-37-24(25-26(33)35-12-13-38(25)27)18-5-7-19(8-6-18)28(41)36-22-15-21(9-11-34-22)29(30,31)32/h5-9,11-13,15,17,20H,3-4,10,14,16H2,1-2H3,(H2,33,35)(H,34,36,41)/t17-,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267603
PNG
(4-(8-amino-3-((cis)-6-methyl-1-(3-(methylthio)prop...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)CN1CCOC1=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
Show InChI InChI=1S/C32H34N8O4/c1-19-2-3-24(17-40(19)26(41)18-38-14-15-44-32(38)43)30-37-27(28-29(33)35-12-13-39(28)30)21-6-8-22(9-7-21)31(42)36-25-16-23(10-11-34-25)20-4-5-20/h6-13,16,19-20,24H,2-5,14-15,17-18H2,1H3,(H2,33,35)(H,34,36,42)/t19-,24+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

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


(Homo sapiens (human))
BDBM267604
PNG
(4-(8-amino-3-((cis)-6-methyl-1-(2-(2-oxooxazolidin...)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1CCC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
Show InChI InChI=1S/C32H35N7O2/c1-19-5-6-25(18-39(19)32(41)23-3-2-4-23)30-37-27(28-29(33)35-15-16-38(28)30)21-9-11-22(12-10-21)31(40)36-26-17-24(13-14-34-26)20-7-8-20/h9-17,19-20,23,25H,2-8,18H2,1H3,(H2,33,35)(H,34,36,40)/t19-,25+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<10n/an/an/an/a



MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V.

US Patent


Assay Description
Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...


US Patent US9718828 (2017)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 255 total )  |  Next  |  Last  >>
Jump to: