BDBM50048583 1-(Propyl-pyridin-4-yl-amino)-1H-indole-3-carbonitrile::CHEMBL345442

SMILES: CCCN(c1ccncc1)n1cc(C#N)c2ccccc12

InChI Key: InChIKey=JWHRWJZJTWFYRA-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50048583   

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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50048583 (1-(Propyl-pyridin-4-yl-amino)-1H-indole-3-carbonit...) Show SMILES CCCN(c1ccncc1)n1cc(C#N)c2ccccc12 Show InChI InChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against norepinephrine (NE) uptake in rat whole brain synaptosome preparation				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50048583 (1-(Propyl-pyridin-4-yl-amino)-1H-indole-3-carbonit...) Show SMILES CCCN(c1ccncc1)n1cc(C#N)c2ccccc12 Show InChI InChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the absence of Zn				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50048583 (1-(Propyl-pyridin-4-yl-amino)-1H-indole-3-carbonit...) Show SMILES CCCN(c1ccncc1)n1cc(C#N)c2ccccc12 Show InChI InChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50048583 (1-(Propyl-pyridin-4-yl-amino)-1H-indole-3-carbonit...) Show SMILES CCCN(c1ccncc1)n1cc(C#N)c2ccccc12 Show InChI InChI=1S/C17H16N4/c1-2-11-20(15-7-9-19-10-8-15)21-13-14(12-18)16-5-3-4-6-17(16)21/h3-10,13H,2,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in rat striatal preparation				J Med Chem 39: 570-81 (1996) Article DOI: 10.1021/jm9506433 BindingDB Entry DOI: 10.7270/Q2BR8R7K
					More data for this Ligand-Target Pair