BDBM50366348 CHEMBL1233654

SMILES: C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12

InChI Key: InChIKey=BDVFVCGFMNCYPV-NSHDSACASA-N

Data: 3 KI  4 IC50

PDB links: 2 PDB IDs match 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 7 hits for monomerid = 50366348   

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))	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	3.00E+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))	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	9.70E+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))	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	7.80E+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
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars		n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of protein kinase C (PKC) using histone III S protein				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0
					More data for this Ligand-Target Pair
Protein kinase Pfmrk (Plasmodium falciparum)	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem 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
Protein kinase C (PKC) (Rattus norvegicus)	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Inhibition of rat brain protein kinase C				Eur J Med Chem 43: 1376-89 (2008) Article DOI: 10.1016/j.ejmech.2007.10.011 BindingDB Entry DOI: 10.7270/Q24170WH
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50366348 (CHEMBL1233654) Show SMILES C[C@H]1CNCCN1S(=O)(=O)c1cccc2cnccc12 |r| 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/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-AMP dependent kinase (PKA) using histone II A protein				Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS2ZQ0
					More data for this Ligand-Target Pair				3D Structure (crystal)