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BDBM340089 (S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)imidazo[1,5- a]pyrazin-1-yl)-2-fluoro-N-(pyridin- 2-yl)benzamide::US9758524, Example 50

SMILES: CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12

InChI Key: InChIKey=UWILEFMBVFSHRN-IBGZPJMESA-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 = 340089   
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))
BDBM340089
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 505n/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))
BDBM340089
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/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))
BDBM340089
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/m0/s1
PDB
MMDB

Reactome pathway
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
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))
BDBM340089
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/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))
BDBM340089
PNG
((S)-4-(8-amino-3-(1-but-2- ynoylpyrrolidin-2-yl)im...)
Show SMILES CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12
Show InChI InChI=1S/C26H22FN7O2/c1-2-6-21(35)33-13-5-7-19(33)25-32-22(23-24(28)30-12-14-34(23)25)16-9-10-17(18(27)15-16)26(36)31-20-8-3-4-11-29-20/h3-4,8-12,14-15,19H,5,7,13H2,1H3,(H2,28,30)(H,29,31,36)/t19-/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