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

Data: 3 KI  3 IC50

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.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 15210   

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...) Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3	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...) Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3	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...) Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3	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...) Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3	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...) Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3	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...) Show SMILES CNCCNS(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3	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