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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50481593'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50481593
PNG
(CHEMBL5287468)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1
Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.100n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50481593
PNG
(CHEMBL5287468)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1
Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.75n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50481593
PNG
(CHEMBL5287468)
Show SMILES COP(F)(=O)CCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1
Show InChI InChI=1S/C23H22FN4O4PS/c1-32-33(24,29)13-3-12-28-15-19(26-27-28)14-25-34(30,31)21-11-9-18-7-6-16-4-2-5-17-8-10-20(21)23(18)22(16)17/h2,4-11,15,25H,3,12-14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 63n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair