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BDBM165463 US10604504, Example 141::US9688629, 141::US9802915, Example 141::US9920031, Example 141

SMILES: Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O

InChI Key:

Data: 9 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 9 hits for monomerid = 165463   
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))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US9688629 (2017)


BindingDB Entry DOI: 10.7270/Q20863G5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US9802915 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8H17
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a



Montana State University



Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2474D50
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10604504 (2020)

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


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human whole blood cells after 120 mins by ELISA


J Med Chem 62: 3228-3250 (2019)

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


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 15n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human Ramos B cells assessed as reduction in BCR-stimulated calcium flux after 1 hr in dark condition measured for 180 sec


J Med Chem 62: 3228-3250 (2019)

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


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 47n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human whole blood cells after 1 hr by ELISA


J Med Chem 62: 3228-3250 (2019)

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


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 90n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of BTK in human whole blood cells after 30 mins by ELISA


J Med Chem 62: 3228-3250 (2019)

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


(Homo sapiens (Human))
BDBM165463
PNG
(US10604504, Example 141 | US9688629, 141 | US98029...)
Show SMILES Cc1[nH]c2c(ccc(N3CCC[C@@H](C3)NS(=O)(=O)C=C)c2c1C)C(N)=O |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence assay


J Med Chem 62: 3228-3250 (2019)

More data for this
Ligand-Target Pair