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3 similar compounds to monomer 50064291

Compile data set for download or QSAR
Wt: 426.5
BDBM50307262
Wt: 292.3
BDBM50064289
Wt: 236.2
BDBM50064290
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50307262,50064289,50064290   
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
Cystathionine beta-synthase


(Homo sapiens (Human))
BDBM50064289
PNG
(CHEMBL3403661)
Show SMILES COc1cc(\C=C2/NC(=S)NC2=O)ccc1OC(C)=O
Show InChI InChI=1S/C13H12N2O4S/c1-7(16)19-10-4-3-8(6-11(10)18-2)5-9-12(17)15-13(20)14-9/h3-6H,1-2H3,(H2,14,15,17,20)/b9-5-
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...


Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50307262
PNG
((Z)-5-(4-(3-(3,5-dimethylphenoxy)propoxy)-3-ethoxy...)
Show SMILES CCOc1cc(\C=C2/NC(=S)NC2=O)ccc1OCCCOc1cc(C)cc(C)c1
Show InChI InChI=1S/C23H26N2O4S/c1-4-27-21-14-17(13-19-22(26)25-23(30)24-19)6-7-20(21)29-9-5-8-28-18-11-15(2)10-16(3)12-18/h6-7,10-14H,4-5,8-9H2,1-3H3,(H2,24,25,26,30)/b19-13-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 53: 1662-72 (2010)


Article DOI: 10.1021/jm901386e
BindingDB Entry DOI: 10.7270/Q2T153RD
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))
BDBM50064290
PNG
(CHEMBL1956805)
Show SMILES Oc1ccc(\C=C2/NC(=S)NC2=O)cc1O
Show InChI InChI=1S/C10H8N2O3S/c13-7-2-1-5(4-8(7)14)3-6-9(15)12-10(16)11-6/h1-4,13-14H,(H2,11,12,15,16)/b6-3-
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...


Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair