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BDBM50260148 CHEMBL4070885

SMILES: Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1

InChI Key: InChIKey=DXYYFJOVZVSYFY-RXVVDRJESA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50260148   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor kinase 5


(Bos taurus)
BDBM50260148
PNG
(CHEMBL4070885)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.71E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK5 after 5 mins after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50260148
PNG
(CHEMBL4070885)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay


J Med Chem 60: 3052-3069 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rhodopsin kinase


(Bos taurus)
BDBM50260148
PNG
(CHEMBL4070885)
Show SMILES Fc1ccc(cc1C(=O)NCc1ccccn1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C26H26FN3O4/c27-23-6-4-17(11-22(23)26(31)30-14-19-3-1-2-9-29-19)21-8-10-28-13-18(21)15-32-20-5-7-24-25(12-20)34-16-33-24/h1-7,9,11-12,18,21,28H,8,10,13-16H2,(H,30,31)/t18-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligand


J Med Chem 60: 3052-3069 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00112
BindingDB Entry DOI: 10.7270/Q2M047XQ
More data for this
Ligand-Target Pair