BDBM15210 CHEMBL148333::H-8::Lopac-M-9656::N-(2-methylaminoethyl)isoquinoline-5-sulfonamide::N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide
SMILES: CNCCNS(=O)(=O)c1cccc2cnccc12
InChI Key: InChIKey=PJWUXKNZVMEPPH-UHFFFAOYSA-N
PDB links: 1 PDB ID matches this monomer. 16 PDB IDs contain this monomer as substructures. 16 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclic AMP-dependent protein kinase (PKA) (Oryctolagus cuniculus (Rabbit)) | BDBM15210 (CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Biochemistry Curated by ChEMBL | Assay Description Inhibitory constant against cAPK (PKA) | J Biol Chem 271: 26157-64 (1996) BindingDB Entry DOI: 10.7270/Q2BR8T3M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken)) | BDBM15210 (CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Biochemistry Curated by ChEMBL | Assay Description Inhibitory constant against MLCK | J Biol Chem 271: 26157-64 (1996) BindingDB Entry DOI: 10.7270/Q2BR8T3M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Casein kinase II alpha (prime) (Homo sapiens (Human)) | BDBM15210 (CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 9.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Biochemistry Curated by ChEMBL | Assay Description Inhibitory constant against CK2 | J Biol Chem 271: 26157-64 (1996) BindingDB Entry DOI: 10.7270/Q2BR8T3M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine)) | BDBM15210 (CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UK Centre for Cancer Therapeutics | Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P... | Bioorg Med Chem 14: 1255-73 (2006) Article DOI: 10.1016/j.bmc.2005.09.055 BindingDB Entry DOI: 10.7270/Q2FN14F2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human)) | BDBM15210 (CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UK Centre for Cancer Therapeutics | Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I... | Bioorg Med Chem 14: 1255-73 (2006) Article DOI: 10.1016/j.bmc.2005.09.055 BindingDB Entry DOI: 10.7270/Q2FN14F2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein kinase Pfmrk (Plasmodium falciparum) | BDBM15210 (CHEMBL148333 | H-8 | Lopac-M-9656 | N-(2-methylami...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Research Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum Pfmrk | Bioorg Med Chem Lett 17: 4961-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.032 BindingDB Entry DOI: 10.7270/Q2GX4CC8 | |||||||||||
More data for this Ligand-Target Pair |