BindingDB PrimarySearch_ki

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

null

SMILES: CC(C)C[C@H](N)COc1ccc(cc1)-c1ccncc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50586141
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50586141 (CHEMBL5079068) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1)-c1ccncc1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GST-Xa tagged human AAK1 (30 to 330 residues) expresssed in bacteria using (5-FAM)-Aha-KEEQSQITSQVTGQIGWR-NH2 peptide as substrate incu...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02131 BindingDB Entry DOI: 10.7270/Q2X63RT2
TBA					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50586141 (CHEMBL5079068) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1)-c1ccncc1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin) using BFC as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02131 BindingDB Entry DOI: 10.7270/Q2X63RT2
TBA					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM50586141 (CHEMBL5079068) Show SMILES CC(C)C[C@H](N)COc1ccc(cc1)-c1ccncc1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of AKK1 in HEK293F cells assessed as reduction in phospho mu2 formation incubated for 3 hrs by Western blot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02131 BindingDB Entry DOI: 10.7270/Q2X63RT2
TBA					More data for this Ligand-Target Pair