Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50068541' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50068541
(CHEMBL3400825)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(14.47,-12.78,;13.4,-12.18,;13.37,-10.64,;14.7,-9.85,;14.67,-8.31,;13.59,-7.71,;15.99,-7.51,;15.97,-5.97,;17.29,-5.18,;18.63,-5.93,;18.66,-7.47,;17.34,-8.26,;19.96,-5.14,;19.94,-3.91,;21.03,-5.74,;21.01,-4.51,;12.03,-9.89,;10.71,-10.68,;10.73,-12.22,;12.08,-12.97,;12.1,-14.51,;13.44,-15.26,;13.46,-16.8,;14.54,-17.41,;12.14,-17.59,;12.16,-18.82,;10.8,-16.84,;9.47,-17.63,;8.13,-16.87,;6.8,-17.66,;5.46,-16.9,;5.44,-15.36,;6.77,-14.58,;8.11,-15.33,;4.1,-14.6,;3.04,-15.23,;4.09,-13.06,;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,;10.78,-15.3,)| Show InChI InChI=1S/C53H47N7O8S/c1-29-37(7-6-8-42(29)59-49(64)31-9-13-32(14-10-31)53(2,3)4)43-28-60(5)50(65)47(58-43)56-33-15-11-30(12-16-33)48(63)54-23-24-55-52(69)57-34-17-20-38(41(25-34)51(66)67)46-39-21-18-35(61)26-44(39)68-45-27-36(62)19-22-40(45)46/h6-22,25-28,61H,23-24H2,1-5H3,(H,54,63)(H,56,58)(H,59,64)(H,66,67)(H2,55,57,69) | 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 | 5.60 | 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 | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50068541
(CHEMBL3400825)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(14.47,-12.78,;13.4,-12.18,;13.37,-10.64,;14.7,-9.85,;14.67,-8.31,;13.59,-7.71,;15.99,-7.51,;15.97,-5.97,;17.29,-5.18,;18.63,-5.93,;18.66,-7.47,;17.34,-8.26,;19.96,-5.14,;19.94,-3.91,;21.03,-5.74,;21.01,-4.51,;12.03,-9.89,;10.71,-10.68,;10.73,-12.22,;12.08,-12.97,;12.1,-14.51,;13.44,-15.26,;13.46,-16.8,;14.54,-17.41,;12.14,-17.59,;12.16,-18.82,;10.8,-16.84,;9.47,-17.63,;8.13,-16.87,;6.8,-17.66,;5.46,-16.9,;5.44,-15.36,;6.77,-14.58,;8.11,-15.33,;4.1,-14.6,;3.04,-15.23,;4.09,-13.06,;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,;10.78,-15.3,)| Show InChI InChI=1S/C53H47N7O8S/c1-29-37(7-6-8-42(29)59-49(64)31-9-13-32(14-10-31)53(2,3)4)43-28-60(5)50(65)47(58-43)56-33-15-11-30(12-16-33)48(63)54-23-24-55-52(69)57-34-17-20-38(41(25-34)51(66)67)46-39-21-18-35(61)26-44(39)68-45-27-36(62)19-22-40(45)46/h6-22,25-28,61H,23-24H2,1-5H3,(H,54,63)(H,56,58)(H,59,64)(H,66,67)(H2,55,57,69) | 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 | 290 | 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)) | BDBM50068541
(CHEMBL3400825)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(14.47,-12.78,;13.4,-12.18,;13.37,-10.64,;14.7,-9.85,;14.67,-8.31,;13.59,-7.71,;15.99,-7.51,;15.97,-5.97,;17.29,-5.18,;18.63,-5.93,;18.66,-7.47,;17.34,-8.26,;19.96,-5.14,;19.94,-3.91,;21.03,-5.74,;21.01,-4.51,;12.03,-9.89,;10.71,-10.68,;10.73,-12.22,;12.08,-12.97,;12.1,-14.51,;13.44,-15.26,;13.46,-16.8,;14.54,-17.41,;12.14,-17.59,;12.16,-18.82,;10.8,-16.84,;9.47,-17.63,;8.13,-16.87,;6.8,-17.66,;5.46,-16.9,;5.44,-15.36,;6.77,-14.58,;8.11,-15.33,;4.1,-14.6,;3.04,-15.23,;4.09,-13.06,;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,;10.78,-15.3,)| Show InChI InChI=1S/C53H47N7O8S/c1-29-37(7-6-8-42(29)59-49(64)31-9-13-32(14-10-31)53(2,3)4)43-28-60(5)50(65)47(58-43)56-33-15-11-30(12-16-33)48(63)54-23-24-55-52(69)57-34-17-20-38(41(25-34)51(66)67)46-39-21-18-35(61)26-44(39)68-45-27-36(62)19-22-40(45)46/h6-22,25-28,61H,23-24H2,1-5H3,(H,54,63)(H,56,58)(H,59,64)(H,66,67)(H2,55,57,69) | 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 | 6.10 | 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 | |
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