BDBM50216682 1-(5-Isoquinolinesulfonyl)-2-methylpiperazine::1-(5-Isoquinolinylsulfonyl)-2-methylpiperazine::5-(2-methylpiperazine-1-sulfonyl)isoquinoline::CHEMBL323556::cid_3542

SMILES: CC1CNCCN1S(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=BDVFVCGFMNCYPV-UHFFFAOYSA-N

Data: 2 KI  4 IC50

PDB links: 1 PDB ID matches 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 = 50216682   

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
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50216682 (1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...) Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Displacement of ATP from protein kinase A (PKA)				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM50216682 (1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...) Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Displacement of ATP from protein kinase C (PKC)				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM50216682 (1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...) Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of protein kinase C (PKC)				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50216682 (1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...) Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2F769ZM
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50216682 (1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...) Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PCBioAssay	n/a	n/a	6.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q24X565S
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50216682 (1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...) Show SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12 Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
URA CNRS 1309 Curated by ChEMBL					Assay Description Inhibition of cAMP-dependent protein kinase (PKA).				J Med Chem 34: 73-8 (1991) BindingDB Entry DOI: 10.7270/Q2J38VS9
					More data for this Ligand-Target Pair