Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50194725' 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)) | BDBM50194725
(CHEMBL3891391)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:32.42,(57.41,-37.92,;56.08,-38.69,;54.75,-37.93,;53.42,-38.69,;53.42,-40.23,;54.75,-41,;56.09,-40.23,;57.42,-40.99,;57.42,-42.53,;56.08,-43.3,;58.75,-43.3,;58.75,-44.83,;60.08,-42.52,;61.41,-43.29,;61.41,-44.83,;62.74,-42.52,;62.73,-40.98,;61.4,-40.22,;60.08,-40.99,;58.74,-40.21,;58.74,-38.67,;54.75,-36.39,;56.09,-35.62,;56.08,-34.07,;54.75,-33.31,;54.74,-31.77,;56.07,-30.99,;53.41,-31,;53.42,-34.07,;51.95,-33.59,;51.04,-34.84,;49.51,-34.99,;48.87,-36.4,;49.78,-37.66,;51.31,-37.5,;51.94,-36.1,;53.42,-35.62,;47.37,-36,;46.28,-34.9,;47.77,-34.5,;46.28,-37.08,)| Show InChI InChI=1S/C32H31FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-10,13-14,17,35,41H,11-12,15H2,1-4H3,(H2,34,38)/t17-/m1/s1 | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human His-tagged BTK expressed in baculovirus using fluoresceinated peptide incubated for 60 mins by fluorescen... |
J Med Chem 59: 9173-9200 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01088
BindingDB Entry DOI: 10.7270/Q23T9K5H |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50194725
(CHEMBL3891391)Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3C[C@@H](CCc3c12)C(C)(C)O |r,wU:32.42,(57.41,-37.92,;56.08,-38.69,;54.75,-37.93,;53.42,-38.69,;53.42,-40.23,;54.75,-41,;56.09,-40.23,;57.42,-40.99,;57.42,-42.53,;56.08,-43.3,;58.75,-43.3,;58.75,-44.83,;60.08,-42.52,;61.41,-43.29,;61.41,-44.83,;62.74,-42.52,;62.73,-40.98,;61.4,-40.22,;60.08,-40.99,;58.74,-40.21,;58.74,-38.67,;54.75,-36.39,;56.09,-35.62,;56.08,-34.07,;54.75,-33.31,;54.74,-31.77,;56.07,-30.99,;53.41,-31,;53.42,-34.07,;51.95,-33.59,;51.04,-34.84,;49.51,-34.99,;48.87,-36.4,;49.78,-37.66,;51.31,-37.5,;51.94,-36.1,;53.42,-35.62,;47.37,-36,;46.28,-34.9,;47.77,-34.5,;46.28,-37.08,)| Show InChI InChI=1S/C32H31FN4O4/c1-16-18(7-6-10-25(16)37-30(39)22-8-5-9-23(33)28(22)36(4)31(37)40)19-13-14-21(29(34)38)27-26(19)20-12-11-17(32(2,3)41)15-24(20)35-27/h5-10,13-14,17,35,41H,11-12,15H2,1-4H3,(H2,34,38)/t17-/m1/s1 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of BTK in human Ramos-B cells assessed as suppression of BCR/anti-IgG-stimulated Ca2+ flux after 1 hr incubation in dark by FLIPR1 assay |
J Med Chem 59: 9173-9200 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01088
BindingDB Entry DOI: 10.7270/Q23T9K5H |
More data for this
Ligand-Target Pair | |
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