BDBM50048602 CHEMBL348034::Indol-1-yl-prop-2-ynyl-pyridin-4-yl-amine

SMILES: C#CCN(c1ccncc1)n1ccc2ccccc12

InChI Key: InChIKey=KUBLGYWISNGZNK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50048602   

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))	BDBM50048602 (CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...) Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2	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	680	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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50048602 (CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...) Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50048602 (CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...) Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against [3H]clonidine binding to Alpha-2 adrenergic receptor in rat cortex				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)	BDBM50048602 (CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...) Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2	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	2.50E+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
Muscarinic acetylcholine receptor (RAT)	BDBM50048602 (CHEMBL348034 | Indol-1-yl-prop-2-ynyl-pyridin-4-yl...) Show SMILES C#CCN(c1ccncc1)n1ccc2ccccc12 Show InChI InChI=1S/C16H13N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h1,3-11,13H,12H2	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	1.10E+4	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