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BDBM377418 3-Fluoro-4-((2-vinylpyridin-4-yl)methyl)-9H-carbazole-1-carboxamide::US10266491, Example 100::US10676434, Example 100

SMILES: NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12

InChI Key: InChIKey=VYDSXMVUDZRLRP-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 377418   
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))
BDBM377418
PNG
(3-Fluoro-4-((2-vinylpyridin-4-yl)methyl)-9H-carbaz...)
Show SMILES NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H16FN3O/c1-2-13-9-12(7-8-24-13)10-15-17(22)11-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-9,11,25H,1,10H2,(H2,23,26)
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 0.120n/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))
BDBM377418
PNG
(3-Fluoro-4-((2-vinylpyridin-4-yl)methyl)-9H-carbaz...)
Show SMILES NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H16FN3O/c1-2-13-9-12(7-8-24-13)10-15-17(22)11-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-9,11,25H,1,10H2,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.120n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM377418
PNG
(3-Fluoro-4-((2-vinylpyridin-4-yl)methyl)-9H-carbaz...)
Show SMILES NC(=O)c1cc(F)c(Cc2ccnc(C=C)c2)c2c3ccccc3[nH]c12
Show InChI InChI=1S/C21H16FN3O/c1-2-13-9-12(7-8-24-13)10-15-17(22)11-16(21(23)26)20-19(15)14-5-3-4-6-18(14)25-20/h2-9,11,25H,1,10H2,(H2,23,26)
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 0.120n/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