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

BDBM50310461 4-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine::CHEMBL1079040

SMILES: CC(C)Cn1c(nc2ccccc12)-c1nonc1N

InChI Key: InChIKey=NYUVVVDGKCTKKF-UHFFFAOYSA-N

Data: 4 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50310461
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
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM50310461 (4-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxad...) Show SMILES CC(C)Cn1c(nc2ccccc12)-c1nonc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of p70S6K assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50310461 (4-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxad...) Show SMILES CC(C)Cn1c(nc2ccccc12)-c1nonc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3beta assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50310461 (4-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxad...) Show SMILES CC(C)Cn1c(nc2ccccc12)-c1nonc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ROCK1 assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50310461 (4-(1-isobutyl-1H-benzo[d]imidazol-2-yl)-1,2,5-oxad...) Show SMILES CC(C)Cn1c(nc2ccccc12)-c1nonc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of PKAalpha assessed as decrease in NADH absorbance at 340 nm in the presence of				Bioorg Med Chem Lett 19: 5191-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.022 BindingDB Entry DOI: 10.7270/Q2KP8287
Vertex Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair