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BDBM264126 4-(3-(8-Fluoro-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide (Mixtures of Two Interconverting diastereomers)::US9714234, 1

SMILES: Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=YMWYOJJLYOKDOF-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 2 hits for monomerid = 264126   
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 JAK2


(Homo sapiens (Human))
BDBM264126
PNG
(4-(3-(8-Fluoro-2,4-dioxo-1,2-dihydroquinazolin-3(4...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-15-17(6-5-9-24(15)36-29(38)21-7-4-8-22(32)26(21)35-30(36)39)18-12-13-20(28(33)37)27-25(18)19-11-10-16(31(2,3)40)14-23(19)34-27/h4-14,34,40H,1-3H3,(H2,33,37)(H,35,39)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/a7.425



Bristol-Myers Squibb Co.

US Patent


Assay Description
Compounds with activity against Jak2 tyrosine kinase have been observed to cause thrombocytopenia, anemia and neutropenia in human patients in clinic...


US Patent US9714234 (2017)


BindingDB Entry DOI: 10.7270/Q2474CW0
More data for this
Ligand-Target Pair
TEC family kinase


(Homo sapiens (Human))
BDBM264126
PNG
(4-(3-(8-Fluoro-2,4-dioxo-1,2-dihydroquinazolin-3(4...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H25FN4O4/c1-15-17(6-5-9-24(15)36-29(38)21-7-4-8-22(32)26(21)35-30(36)39)18-12-13-20(28(33)37)27-25(18)19-11-10-16(31(2,3)40)14-23(19)34-27/h4-14,34,40H,1-3H3,(H2,33,37)(H,35,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/a7.425



Bristol-Myers Squibb Co.

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 US9714234 (2017)


BindingDB Entry DOI: 10.7270/Q2474CW0
More data for this
Ligand-Target Pair