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BDBM377468 4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluoromethyl)- 9H-carbazole-1- carboxamide, isomer 1::US10266491, Example 161::US10266491, Example 162::US10676434, Example 162

SMILES: NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F

InChI Key:

Data: 4 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 = 377468   
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))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
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 0.0900n/an/an/an/an/an/a



Curacyte Chemistry GmbH



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 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
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 0.800n/an/an/an/an/an/a



Curacyte Chemistry GmbH



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 49: 4116-26 (2006)


BindingDB Entry DOI: 10.7270/Q26112M3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.800n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
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 0.800n/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 US10676434 (2020)

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


(Homo sapiens (Human))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.0900n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM377468
PNG
(4-(1-acryloylpiperidin-3-yl)- 3-fluoro-7-(trifluor...)
Show SMILES NC(=O)c1cc(F)c(C2CCCN(C2)C(=O)C=C)c2c3ccc(cc3[nH]c12)C(F)(F)F
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 0.0900n/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 US10676434 (2020)

More data for this
Ligand-Target Pair