BindingDB PrimarySearch

BDBM50545576 CHEMBL4640712

SMILES: CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N

InChI Key: InChIKey=RJTDRNOTQRMDCY-KRWDZBQOSA-N

Data: 14 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50545576
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
CaM kinase I delta (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	7.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human MEK5 using ERK5 as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human PIP5K1C using PI(4)P:PS as substrate by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human MLK3 using myelin basic protein as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
CaM kinase I delta (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate...				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
CaM kinase I delta (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte...				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
CaM kinase I alpha (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human CAMK1A using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human ERG by Ionworks electrophysiology assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1B (Homo sapiens (Human))	BDBM50545576 (CHEMBL4640712) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of human CAMK1B using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay				J Med Chem 63: 6784-6801 (2020)
University of Nottingham Curated by ChEMBL					More data for this Ligand-Target Pair