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BDBM249902 US10005782, Compound 29b::US9447106, 119::US9447106, 29::US9556188, Compound 29

SMILES: NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=PKGJEJSOPQZJNR-UHFFFAOYNA-N

Data: 6 IC50

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 6 hits for monomerid = 249902   
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))
BDBM249902
PNG
(US10005782, Compound 29b | US9447106, 119 | US9447...)
Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C25H25N5O3/c1-2-21(31)29-14-17(15-29)20-12-13-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.480n/an/an/an/an/a25



BeiGene, Ltd

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)


BindingDB Entry DOI: 10.7270/Q21Z439C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM249902
PNG
(US10005782, Compound 29b | US9447106, 119 | US9447...)
Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C25H25N5O3/c1-2-21(31)29-14-17(15-29)20-12-13-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/a25



BeiGene, Ltd

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9447106 (2016)


BindingDB Entry DOI: 10.7270/Q21Z439C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM249902
PNG
(US10005782, Compound 29b | US9447106, 119 | US9447...)
Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C25H25N5O3/c1-2-21(31)29-14-17(15-29)20-12-13-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)
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PC cid
PC sid
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US10005782 (2018)

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


(Homo sapiens (Human))
BDBM249902
PNG
(US10005782, Compound 29b | US9447106, 119 | US9447...)
Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C25H25N5O3/c1-2-21(31)29-14-17(15-29)20-12-13-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 0.480n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US10005782 (2018)

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


(Homo sapiens (Human))
BDBM249902
PNG
(US10005782, Compound 29b | US9447106, 119 | US9447...)
Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C25H25N5O3/c1-2-21(31)29-14-17(15-29)20-12-13-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 0.430n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US10005782 (2018)

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


(Homo sapiens (Human))
BDBM249902
PNG
(US10005782, Compound 29b | US9447106, 119 | US9447...)
Show SMILES NC(=O)c1c2NCCC(C3CN(C3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1/C25H25N5O3/c1-2-21(31)29-14-17(15-29)20-12-13-27-25-22(24(26)32)23(28-30(20)25)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h2-11,17,20,27H,1,12-15H2,(H2,26,32)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 0.480n/an/an/an/an/a25



BeiGene, Ltd

US Patent


Assay Description
Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfe...


US Patent US9556188 (2017)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q26Q2082
More data for this
Ligand-Target Pair