Found 3 hits for monomerid = 50068543 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)) | BDBM50068543
(CHEMBL3402353)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(15.83,-15.08,;14.75,-14.48,;14.73,-12.94,;16.05,-12.15,;16.02,-10.61,;14.95,-10.01,;17.35,-9.81,;17.32,-8.27,;18.64,-7.48,;19.99,-8.23,;20.01,-9.77,;18.69,-10.56,;21.31,-7.44,;21.29,-6.21,;22.39,-8.04,;22.37,-6.81,;13.38,-12.19,;12.06,-12.98,;12.09,-14.52,;13.43,-15.27,;13.45,-16.81,;14.8,-17.56,;14.82,-19.1,;15.89,-19.71,;13.5,-19.89,;13.51,-21.12,;12.15,-19.14,;10.83,-19.93,;9.48,-19.17,;8.16,-19.96,;6.81,-19.2,;6.8,-17.66,;8.12,-16.88,;9.47,-17.63,;5.46,-16.9,;4.4,-17.53,;5.44,-15.36,;4.1,-14.6,;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,;12.13,-17.6,)| Show InChI InChI=1S/C55H51N7O8S/c1-31-39(9-8-10-44(31)61-51(66)33-11-15-34(16-12-33)55(2,3)4)45-30-62(5)52(67)49(60-45)58-35-17-13-32(14-18-35)50(65)56-25-6-7-26-57-54(71)59-36-19-22-40(43(27-36)53(68)69)48-41-23-20-37(63)28-46(41)70-47-29-38(64)21-24-42(47)48/h8-24,27-30,63H,6-7,25-26H2,1-5H3,(H,56,65)(H,58,60)(H,61,66)(H,68,69)(H2,57,59,71) | 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 | 189 | 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)) | BDBM50068543
(CHEMBL3402353)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(15.83,-15.08,;14.75,-14.48,;14.73,-12.94,;16.05,-12.15,;16.02,-10.61,;14.95,-10.01,;17.35,-9.81,;17.32,-8.27,;18.64,-7.48,;19.99,-8.23,;20.01,-9.77,;18.69,-10.56,;21.31,-7.44,;21.29,-6.21,;22.39,-8.04,;22.37,-6.81,;13.38,-12.19,;12.06,-12.98,;12.09,-14.52,;13.43,-15.27,;13.45,-16.81,;14.8,-17.56,;14.82,-19.1,;15.89,-19.71,;13.5,-19.89,;13.51,-21.12,;12.15,-19.14,;10.83,-19.93,;9.48,-19.17,;8.16,-19.96,;6.81,-19.2,;6.8,-17.66,;8.12,-16.88,;9.47,-17.63,;5.46,-16.9,;4.4,-17.53,;5.44,-15.36,;4.1,-14.6,;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,;12.13,-17.6,)| Show InChI InChI=1S/C55H51N7O8S/c1-31-39(9-8-10-44(31)61-51(66)33-11-15-34(16-12-33)55(2,3)4)45-30-62(5)52(67)49(60-45)58-35-17-13-32(14-18-35)50(65)56-25-6-7-26-57-54(71)59-36-19-22-40(43(27-36)53(68)69)48-41-23-20-37(63)28-46(41)70-47-29-38(64)21-24-42(47)48/h8-24,27-30,63H,6-7,25-26H2,1-5H3,(H,56,65)(H,58,60)(H,61,66)(H,68,69)(H2,57,59,71) | 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 | 5.5 | 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)) | BDBM50068543
(CHEMBL3402353)Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(15.83,-15.08,;14.75,-14.48,;14.73,-12.94,;16.05,-12.15,;16.02,-10.61,;14.95,-10.01,;17.35,-9.81,;17.32,-8.27,;18.64,-7.48,;19.99,-8.23,;20.01,-9.77,;18.69,-10.56,;21.31,-7.44,;21.29,-6.21,;22.39,-8.04,;22.37,-6.81,;13.38,-12.19,;12.06,-12.98,;12.09,-14.52,;13.43,-15.27,;13.45,-16.81,;14.8,-17.56,;14.82,-19.1,;15.89,-19.71,;13.5,-19.89,;13.51,-21.12,;12.15,-19.14,;10.83,-19.93,;9.48,-19.17,;8.16,-19.96,;6.81,-19.2,;6.8,-17.66,;8.12,-16.88,;9.47,-17.63,;5.46,-16.9,;4.4,-17.53,;5.44,-15.36,;4.1,-14.6,;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,;12.13,-17.6,)| Show InChI InChI=1S/C55H51N7O8S/c1-31-39(9-8-10-44(31)61-51(66)33-11-15-34(16-12-33)55(2,3)4)45-30-62(5)52(67)49(60-45)58-35-17-13-32(14-18-35)50(65)56-25-6-7-26-57-54(71)59-36-19-22-40(43(27-36)53(68)69)48-41-23-20-37(63)28-46(41)70-47-29-38(64)21-24-42(47)48/h8-24,27-30,63H,6-7,25-26H2,1-5H3,(H,56,65)(H,58,60)(H,61,66)(H,68,69)(H2,57,59,71) | 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 | 4.30 | 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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