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BDBM50231284 1-(3-aminobenzo[d]isoxazol-5-yl)-6-[4-(2-dimethylaminomethylpyridin-3-yl)-2-fluorophenyl]-7-fluoro-1H-indazole-3-carboxylicacid amide::CHEMBL255053

SMILES: CN(C)Cc1ncccc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O

InChI Key: InChIKey=FFFFWKNRTFCAMK-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50231284   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50231284
PNG
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-[4-(2-dimethyla...)
Show SMILES CN(C)Cc1ncccc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O
Show InChI InChI=1S/C29H23F2N7O2/c1-37(2)14-23-17(4-3-11-34-23)15-5-7-18(22(30)12-15)19-8-9-20-26(29(33)39)35-38(27(20)25(19)31)16-6-10-24-21(13-16)28(32)36-40-24/h3-13H,14H2,1-2H3,(H2,32,36)(H2,33,39)
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Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


J Med Chem 53: 6243-74 (2010)


Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50231284
PNG
(1-(3-aminobenzo[d]isoxazol-5-yl)-6-[4-(2-dimethyla...)
Show SMILES CN(C)Cc1ncccc1-c1ccc(c(F)c1)-c1ccc2c(nn(-c3ccc4onc(N)c4c3)c2c1F)C(N)=O
Show InChI InChI=1S/C29H23F2N7O2/c1-37(2)14-23-17(4-3-11-34-23)15-5-7-18(22(30)12-15)19-8-9-20-26(29(33)39)35-38(27(20)25(19)31)16-6-10-24-21(13-16)28(32)36-40-24/h3-13H,14H2,1-2H3,(H2,32,36)(H2,33,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 51: 282-97 (2008)


Article DOI: 10.1021/jm701217r
BindingDB Entry DOI: 10.7270/Q2K64HTF
More data for this
Ligand-Target Pair