Found 3 hits for monomerid = 50068595 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50068595
(CHEMBL3402356)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1 |(-1.21,-23.53,;-1.21,-22.3,;-2.54,-21.53,;-3.88,-22.29,;-5.21,-21.52,;-5.21,-20.29,;-6.55,-22.28,;-7.88,-21.51,;-9.22,-22.28,;-9.22,-23.82,;-7.89,-24.59,;-6.55,-23.82,;-10.56,-24.59,;-11.62,-23.97,;-10.56,-25.82,;-11.62,-25.2,;-2.54,-19.99,;-1.21,-19.22,;.13,-19.99,;.12,-21.53,;1.46,-22.3,;1.46,-23.84,;2.79,-24.61,;2.79,-25.84,;4.12,-23.84,;5.19,-24.46,;4.12,-22.3,;5.46,-21.53,;5.46,-19.99,;6.79,-19.21,;6.78,-17.67,;5.44,-16.91,;4.11,-17.68,;4.12,-19.22,;5.44,-15.37,;6.5,-14.75,;4.1,-14.6,;2.77,-15.38,;1.43,-14.62,;1.42,-13.08,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;4.09,-13.06,;2.79,-21.53,)| Show InChI InChI=1S/C56H51N7O9S/c1-31-40(7-6-8-45(31)61-51(66)32-9-13-34(14-10-32)56(2,3)4)46-30-62(5)53(68)50(60-46)58-35-15-11-33(12-16-35)52(67)63-23-24-71-39(29-63)28-57-55(73)59-36-17-20-41(44(25-36)54(69)70)49-42-21-18-37(64)26-47(42)72-48-27-38(65)19-22-43(48)49/h6-22,25-27,30,39,64H,23-24,28-29H2,1-5H3,(H,58,60)(H,61,66)(H,69,70)(H2,57,59,73) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Carna Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP |
Bioorg Med Chem Lett 25: 2033-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50068595
(CHEMBL3402356)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1 |(-1.21,-23.53,;-1.21,-22.3,;-2.54,-21.53,;-3.88,-22.29,;-5.21,-21.52,;-5.21,-20.29,;-6.55,-22.28,;-7.88,-21.51,;-9.22,-22.28,;-9.22,-23.82,;-7.89,-24.59,;-6.55,-23.82,;-10.56,-24.59,;-11.62,-23.97,;-10.56,-25.82,;-11.62,-25.2,;-2.54,-19.99,;-1.21,-19.22,;.13,-19.99,;.12,-21.53,;1.46,-22.3,;1.46,-23.84,;2.79,-24.61,;2.79,-25.84,;4.12,-23.84,;5.19,-24.46,;4.12,-22.3,;5.46,-21.53,;5.46,-19.99,;6.79,-19.21,;6.78,-17.67,;5.44,-16.91,;4.11,-17.68,;4.12,-19.22,;5.44,-15.37,;6.5,-14.75,;4.1,-14.6,;2.77,-15.38,;1.43,-14.62,;1.42,-13.08,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;4.09,-13.06,;2.79,-21.53,)| Show InChI InChI=1S/C56H51N7O9S/c1-31-40(7-6-8-45(31)61-51(66)32-9-13-34(14-10-32)56(2,3)4)46-30-62(5)53(68)50(60-46)58-35-15-11-33(12-16-35)52(67)63-23-24-71-39(29-63)28-57-55(73)59-36-17-20-41(44(25-36)54(69)70)49-42-21-18-37(64)26-47(42)72-48-27-38(65)19-22-43(48)49/h6-22,25-27,30,39,64H,23-24,28-29H2,1-5H3,(H,58,60)(H,61,66)(H,69,70)(H2,57,59,73) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a |
Carna Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to biotinylated and unactivated BTK (unknown origin) incubated for 1 hr by TR-FRET assay |
Bioorg Med Chem Lett 25: 2033-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50068595
(CHEMBL3402356)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1 |(-1.21,-23.53,;-1.21,-22.3,;-2.54,-21.53,;-3.88,-22.29,;-5.21,-21.52,;-5.21,-20.29,;-6.55,-22.28,;-7.88,-21.51,;-9.22,-22.28,;-9.22,-23.82,;-7.89,-24.59,;-6.55,-23.82,;-10.56,-24.59,;-11.62,-23.97,;-10.56,-25.82,;-11.62,-25.2,;-2.54,-19.99,;-1.21,-19.22,;.13,-19.99,;.12,-21.53,;1.46,-22.3,;1.46,-23.84,;2.79,-24.61,;2.79,-25.84,;4.12,-23.84,;5.19,-24.46,;4.12,-22.3,;5.46,-21.53,;5.46,-19.99,;6.79,-19.21,;6.78,-17.67,;5.44,-16.91,;4.11,-17.68,;4.12,-19.22,;5.44,-15.37,;6.5,-14.75,;4.1,-14.6,;2.77,-15.38,;1.43,-14.62,;1.42,-13.08,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;4.09,-13.06,;2.79,-21.53,)| Show InChI InChI=1S/C56H51N7O9S/c1-31-40(7-6-8-45(31)61-51(66)32-9-13-34(14-10-32)56(2,3)4)46-30-62(5)53(68)50(60-46)58-35-15-11-33(12-16-35)52(67)63-23-24-71-39(29-63)28-57-55(73)59-36-17-20-41(44(25-36)54(69)70)49-42-21-18-37(64)26-47(42)72-48-27-38(65)19-22-43(48)49/h6-22,25-27,30,39,64H,23-24,28-29H2,1-5H3,(H,58,60)(H,61,66)(H,69,70)(H2,57,59,73) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Carna Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATP |
Bioorg Med Chem Lett 25: 2033-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.001
BindingDB Entry DOI: 10.7270/Q2VX0J60 |
More data for this
Ligand-Target Pair | |
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