BDBM15203 5-(piperazine-1-sulfonyl)isoquinoline::CHEMBL75773::Isoquinoline-5-sulfonic acid piperazin-1 ylamide::isoquinoline-5-sulfonamide 18

SMILES: O=S(=O)(N1CCNCC1)c1cccc2cnccc12

InChI Key: InChIKey=UPTYCYWTFGTCCG-UHFFFAOYSA-N

Data: 1 KI  4 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains 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 5 hits for monomerid = 15203   

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
Adenosine receptor A3 (Homo sapiens (Human))	BDBM15203 (5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...) Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.				J Med Chem 39: 2293-301 (1996) Article DOI: 10.1021/jm950923i BindingDB Entry DOI: 10.7270/Q2D799J2
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM15203 (5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...) Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid 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 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
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM15203 (5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...) Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2	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 UniChem Patents Similars	PubMed	n/a	n/a	1.20E+4	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
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM15203 (5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...) Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	7.2	22
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)	BDBM15203 (5-(piperazine-1-sulfonyl)isoquinoline | CHEMBL7577...) Show SMILES O=S(=O)(N1CCNCC1)c1cccc2cnccc12 Show InChI InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	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