BDBM50257350 CHEMBL1738877
SMILES: Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
InChI Key: InChIKey=WFOVEDJTASPCIR-UHFFFAOYSA-N
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 |
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Rhodopsin kinase (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of recombinant human GST-tagged GRK1 expressed in baculovirus infected fall armyworm Sf9 cells after 60 mins by LanthaScreen eu kinase bin... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
G protein-coupled receptor kinase 6 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of recombinant human full length GST-tagged GRK6 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor kinase 7 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of recombinant human full length GST-tagged GRK7 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PKC alpha and beta-2 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of human PKCalpha active using MBP as substrate after 60 mins in presence of [gamma-32]ATP by scintillation counting | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Beta-adrenergic receptor kinase 1 (Bos taurus) | BDBM50257350 (CHEMBL1738877) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry 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 Structure (crystal) | ||||||||||||
G protein-coupled receptor kinase 5 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of recombinant human full length GST-tagged GRK5 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodopsin kinase (Bos taurus) | BDBM50257350 (CHEMBL1738877) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 5.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Inhibitory concentration against alpha-galactosidase of coffee bean | 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 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Inhibition of GRK2 (unknown origin) | 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 Structure (crystal) | ||||||||||||
G protein-coupled receptor kinase 5 (Bos taurus) | BDBM50257350 (CHEMBL1738877) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Binding affinity towards serotonin transporter determined using [3H]paroxetine 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 | |||||||||||||
G-protein coupled receptor kinase 2 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Rho-associated protein kinase 2 (Homo sapiens (Human)) | BDBM50257350 (CHEMBL1738877) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid PDB UniChem Patents | Article PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL | Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK... | J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z | |||||||||||
More data for this Ligand-Target Pair |