Found 8 hits for monomerid = 50458604 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 ITK/TSK
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of ITK (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay |
ACS Med Chem Lett 9: 587-589 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TEC
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TEC (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay |
ACS Med Chem Lett 9: 587-589 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay |
ACS Med Chem Lett 9: 587-589 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TEC
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
GB005, Inc.
US Patent
| Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria... |
US Patent US10752615 (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
GB005, Inc.
US Patent
| Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria... |
US Patent US10752615 (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
GB005, Inc.
US Patent
| Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria... |
US Patent US10752615 (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a |
GB005, Inc.
US Patent
| Assay Description
The in vitro kinase assays were performed at Nanosyn (Santa Clara, Calif.) utilizing microfluidic detection technology. The test compounds were seria... |
US Patent US10752615 (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase TXK
(Homo sapiens (Human)) | BDBM50458604
(CHEMBL4214683 | US10752615, Compound 149)Show SMILES Cc1nccc(n1)-c1ccc(s1)C(=O)Nc1nc2ccccc2n1[C@H]1C[C@]2(C1)CCN(C2)C(=O)C=C |r,wU:26.32,24.27,(71.14,-29.4,;69.74,-30.04,;69.6,-31.58,;68.2,-32.22,;66.94,-31.32,;67.1,-29.79,;68.49,-29.15,;65.84,-28.9,;65.83,-27.36,;64.37,-26.9,;63.48,-28.16,;64.39,-29.38,;61.95,-28.17,;61.17,-26.84,;61.18,-29.51,;59.64,-29.52,;58.73,-28.27,;57.25,-28.76,;55.92,-27.99,;54.59,-28.76,;54.59,-30.31,;55.92,-31.08,;57.26,-30.31,;58.74,-30.78,;59.22,-32.24,;60.6,-32.93,;59.9,-34.31,;58.53,-33.61,;61.4,-34.64,;61.56,-36.17,;60.15,-36.79,;59.12,-35.64,;59.82,-38.29,;60.96,-39.33,;58.35,-38.76,;58.02,-40.26,)| Show InChI InChI=1S/C27H26N6O2S/c1-3-24(34)32-13-11-27(16-32)14-18(15-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-10-12-28-17(2)29-20/h3-10,12,18H,1,11,13-16H2,2H3,(H,30,31,35)/t18-,27- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of TXK (unknown origin) using fluorescently labeled peptide as substrate after 3 hrs by microfluidic mobility shift assay |
ACS Med Chem Lett 9: 587-589 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00178
BindingDB Entry DOI: 10.7270/Q22V2JQN |
More data for this
Ligand-Target Pair | |
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