BindingDB PrimarySearch

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SMILES: CC(C)C[C@](C)(N)COc1ccc(cc1C#N)-c1ccnc(C)c1

InChI Key: InChIKey=WKMRZAXLCSNZFP-FQEVSTJZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 311204
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))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10155760 (2018) BindingDB Entry DOI: 10.7270/Q2F191S4
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				J Med Chem 48: 2906-15 (2005) BindingDB Entry DOI: 10.7270/Q2930WGG
University of Mississippi					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10351563 (2019) BindingDB Entry DOI: 10.7270/Q2P55QWS
Bristol-Myers Squibb Co. US Patent					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10544120 (2020) BindingDB Entry DOI: 10.7270/Q2RF5XCX
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES 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	>2.00E+4	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))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μl prepared from 15 μl additions of enzyme and substra...				US Patent US10981910 (2021) BindingDB Entry DOI: 10.7270/Q2CF9T6J
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	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
AP2-associated protein kinase 1 (Homo sapiens (Human))	BDBM311204 ((S)-2-((2-amino-2,4-dimethylpentyl)oxy)-5-(2-methy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 Cl prepared from 15 μl additions of enzyme and substrates (...				US Patent US10723734 (2020) BindingDB Entry DOI: 10.7270/Q2Z60S4P
Bristol-Myers Squibb Company US Patent					More data for this Ligand-Target Pair