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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rhodopsin kinase' and Ligand = 'BDBM50173327'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173327
PNG
(CHEMBL3808499 | US10023564, Example 28)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.0n/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent




US Patent US10023564 (2018)


BindingDB Entry DOI: 10.7270/Q2V126V5
More data for this
Ligand-Target Pair
Rhodopsin kinase


(Homo sapiens (Human))
BDBM50173327
PNG
(CHEMBL3808499 | US10023564, Example 28)
Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
Show InChI InChI=1/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)
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PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method


J Med Chem 59: 3793-807 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ12X4
More data for this
Ligand-Target Pair