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BDBM340158 (S)-4-(8-amino-3-(1- (vinylsulfonyl)piperidin-2- yl)imidazo[1,5-a]pyrazin-1-yl)-N-(4- propylpyridin-2-yl)benzamide::US9758524, Example 49

SMILES: CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1

InChI Key: InChIKey=ZEMPUPKGVIBNAO-QFIPXVFZSA-N

Data: 5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 340158   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM340158
PNG
((S)-4-(8-amino-3-(1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H31N7O3S/c1-3-7-19-13-14-30-23(18-19)32-28(36)21-11-9-20(10-12-21)24-25-26(29)31-15-17-34(25)27(33-24)22-8-5-6-16-35(22)39(37,38)4-2/h4,9-15,17-18,22H,2-3,5-8,16H2,1H3,(H2,29,31)(H,30,32,36)/t22-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<10n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Btk enzyme (His-Btk (Millipore catalog #14-552), is diluted to 0.4 U/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM D...


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340158
PNG
((S)-4-(8-amino-3-(1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H31N7O3S/c1-3-7-19-13-14-30-23(18-19)32-28(36)21-11-9-20(10-12-21)24-25-26(29)31-15-17-34(25)27(33-24)22-8-5-6-16-35(22)39(37,38)4-2/h4,9-15,17-18,22H,2-3,5-8,16H2,1H3,(H2,29,31)(H,30,32,36)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


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


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340158
PNG
((S)-4-(8-amino-3-(1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H31N7O3S/c1-3-7-19-13-14-30-23(18-19)32-28(36)21-11-9-20(10-12-21)24-25-26(29)31-15-17-34(25)27(33-24)22-8-5-6-16-35(22)39(37,38)4-2/h4,9-15,17-18,22H,2-3,5-8,16H2,1H3,(H2,29,31)(H,30,32,36)/t22-/m0/s1
PDB
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PC cid
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US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


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


US Patent US9758524 (2017)

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


(Homo sapiens (Human))
BDBM340158
PNG
((S)-4-(8-amino-3-(1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H31N7O3S/c1-3-7-19-13-14-30-23(18-19)32-28(36)21-11-9-20(10-12-21)24-25-26(29)31-15-17-34(25)27(33-24)22-8-5-6-16-35(22)39(37,38)4-2/h4,9-15,17-18,22H,2-3,5-8,16H2,1H3,(H2,29,31)(H,30,32,36)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


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


US Patent US9758524 (2017)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM340158
PNG
((S)-4-(8-amino-3-(1- (vinylsulfonyl)piperidin-2- y...)
Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1
Show InChI InChI=1S/C28H31N7O3S/c1-3-7-19-13-14-30-23(18-19)32-28(36)21-11-9-20(10-12-21)24-25-26(29)31-15-17-34(25)27(33-24)22-8-5-6-16-35(22)39(37,38)4-2/h4,9-15,17-18,22H,2-3,5-8,16H2,1H3,(H2,29,31)(H,30,32,36)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


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


US Patent US9758524 (2017)

More data for this
Ligand-Target Pair