Found 2 hits for monomerid = 50233390 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)) | BDBM50233390
(CHEMBL4097968)Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.32,wD:32.39,(52.42,-33.78,;52.42,-35.32,;51.1,-36.09,;51.1,-37.63,;52.42,-38.4,;53.75,-37.64,;55.22,-38.11,;56.13,-36.86,;55.22,-35.62,;55.69,-34.16,;57.2,-33.84,;57.68,-32.38,;56.65,-31.23,;55.13,-31.56,;54.67,-33.02,;57.12,-29.77,;56.09,-28.62,;58.63,-29.45,;59.1,-27.98,;58.07,-26.85,;58.53,-25.39,;60.05,-25.06,;61.08,-26.2,;60.6,-27.67,;57.5,-24.24,;56.56,-23.21,;57.74,-22.65,;55.9,-24.33,;53.75,-36.09,;55.95,-39.47,;57.48,-39.53,;58.2,-40.9,;57.37,-42.2,;55.83,-42.13,;55.12,-40.77,;58.08,-43.57,;57.26,-44.87,;59.62,-43.63,)| Show InChI InChI=1S/C26H23F3N6O3/c27-26(28,29)18-9-10-31-19(13-18)33-24(36)16-5-1-14(2-6-16)20-21-22(30)32-11-12-35(21)23(34-20)15-3-7-17(8-4-15)25(37)38/h1-2,5-6,9-13,15,17H,3-4,7-8H2,(H2,30,32)(H,37,38)(H,31,33,36)/t15-,17- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co Inc
Curated by ChEMBL
| Assay Description Inhibition of BTK in human PBMC |
Bioorg Med Chem Lett 27: 1471-1477 (2017)
BindingDB Entry DOI: 10.7270/Q20867K5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50233390
(CHEMBL4097968)Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:29.32,wD:32.39,(52.42,-33.78,;52.42,-35.32,;51.1,-36.09,;51.1,-37.63,;52.42,-38.4,;53.75,-37.64,;55.22,-38.11,;56.13,-36.86,;55.22,-35.62,;55.69,-34.16,;57.2,-33.84,;57.68,-32.38,;56.65,-31.23,;55.13,-31.56,;54.67,-33.02,;57.12,-29.77,;56.09,-28.62,;58.63,-29.45,;59.1,-27.98,;58.07,-26.85,;58.53,-25.39,;60.05,-25.06,;61.08,-26.2,;60.6,-27.67,;57.5,-24.24,;56.56,-23.21,;57.74,-22.65,;55.9,-24.33,;53.75,-36.09,;55.95,-39.47,;57.48,-39.53,;58.2,-40.9,;57.37,-42.2,;55.83,-42.13,;55.12,-40.77,;58.08,-43.57,;57.26,-44.87,;59.62,-43.63,)| Show InChI InChI=1S/C26H23F3N6O3/c27-26(28,29)18-9-10-31-19(13-18)33-24(36)16-5-1-14(2-6-16)20-21-22(30)32-11-12-35(21)23(34-20)15-3-7-17(8-4-15)25(37)38/h1-2,5-6,9-13,15,17H,3-4,7-8H2,(H2,30,32)(H,37,38)(H,31,33,36)/t15-,17- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co Inc
Curated by ChEMBL
| Assay Description Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-N... |
Bioorg Med Chem Lett 27: 1471-1477 (2017)
BindingDB Entry DOI: 10.7270/Q20867K5 |
More data for this Ligand-Target Pair | |