BDBM50394743 CHEMBL2165820

SMILES: CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

InChI Key: InChIKey=OGZIQVTYHMBLMX-UHFFFAOYSA-N

Data: 3 IC50  5 EC50

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 8 hits for monomerid = 50394743   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential assessed as reduction in tail current amplitude by conventional patch c...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated fo...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human muscarinic M1 receptor by cell based functional assay				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human muscarinic M4 receptor by cell based functional assay				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human muscarinic M3 receptor by cell based functional assay				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human muscarinic M2 receptor by cell based functional assay				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50394743 (CHEMBL2165820) Show SMILES CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12 Show InChI InChI=1S/C17H22N4S/c1-19-8-10-21-9-2-4-13-12-14(6-7-15(13)21)20-17(18)16-5-3-11-22-16/h3,5-7,11-12,19H,2,4,8-10H2,1H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in Sf9 cells assessed as reduction in conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins by...				J Med Chem 55: 2882-93 (2012) Article DOI: 10.1021/jm3000449 BindingDB Entry DOI: 10.7270/Q24F1RV1
					More data for this Ligand-Target Pair