Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM191613' 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)) | BDBM191613
(US9181263, 8 | US9278100, 8)Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,9.8,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-4.21,-.35,;-4.61,1.14,;-3.52,2.23,;-2.03,1.83,;-1.63,.35,;-3.92,3.72,;-3.37,5.16,;-4.56,6.13,;-4.56,7.67,;-3.23,8.44,;-3.23,9.98,;-4.56,10.75,;-4.56,12.29,;-3.23,13.06,;-1.9,12.29,;-.56,13.06,;-.56,14.6,;-1.9,15.37,;-3.23,14.6,;-5.9,9.98,;-5.9,8.44,;-5.85,5.29,;-7.34,5.69,;-7.74,7.17,;-8.43,4.6,;-8.03,3.11,;-6.55,2.71,;-5.46,3.8,)| Show InChI InChI=1S/C29H33N7O2/c1-35(2)18-6-9-25(37)33-21-12-14-22(15-13-21)36-29-26(28(30)31-19-32-29)27(34-36)20-10-16-24(17-11-20)38-23-7-4-3-5-8-23/h3-11,16-17,19,21-22H,12-15,18H2,1-2H3,(H,33,37)(H2,30,31,32)/b9-6+/t21-,22+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacyclics LLC
US Patent
| Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 uM ATP.). Reaction condition... |
US Patent US9278100 (2016)
BindingDB Entry DOI: 10.7270/Q20C4TMX |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM191613
(US9181263, 8 | US9278100, 8)Show SMILES CN(C)C\C=C\C(=O)N[C@H]1CC[C@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.15,9.8,(5.41,-.16,;4.32,-1.25,;4.72,-2.74,;2.83,-.85,;1.74,-1.94,;.25,-1.54,;-.84,-2.63,;-.44,-4.12,;-2.32,-2.23,;-2.72,-.74,;-4.21,-.35,;-4.61,1.14,;-3.52,2.23,;-2.03,1.83,;-1.63,.35,;-3.92,3.72,;-3.37,5.16,;-4.56,6.13,;-4.56,7.67,;-3.23,8.44,;-3.23,9.98,;-4.56,10.75,;-4.56,12.29,;-3.23,13.06,;-1.9,12.29,;-.56,13.06,;-.56,14.6,;-1.9,15.37,;-3.23,14.6,;-5.9,9.98,;-5.9,8.44,;-5.85,5.29,;-7.34,5.69,;-7.74,7.17,;-8.43,4.6,;-8.03,3.11,;-6.55,2.71,;-5.46,3.8,)| Show InChI InChI=1S/C29H33N7O2/c1-35(2)18-6-9-25(37)33-21-12-14-22(15-13-21)36-29-26(28(30)31-19-32-29)27(34-36)20-10-16-24(17-11-20)38-23-7-4-3-5-8-23/h3-11,16-17,19,21-22H,12-15,18H2,1-2H3,(H,33,37)(H2,30,31,32)/b9-6+/t21-,22+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
PHARMACYCLICS LLC
US Patent
| Assay Description
IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme in... |
US Patent US9181263 (2015)
BindingDB Entry DOI: 10.7270/Q2765D5Z |
More data for this
Ligand-Target Pair | |
Search and Browse
