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SMILES: Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1

InChI Key: InChIKey=PQOIDBZLMJMYCD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50145073   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human D4.4 receptor				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1A receptor				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Opioid receptor kappa 1				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D4 using FLIPR assay				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D4 using FLIPR assay				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D2 using FLIPR assay				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	527	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D2 using FLIPR assay				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Effective concentration against human Dopamine receptor D4				J Med Chem 47: 2348-55 (2004) Article DOI: 10.1021/jm0305669 BindingDB Entry DOI: 10.7270/Q2M61M03
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50145073 (5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...) Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1 Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration tested on HEK293 cells co-transfected with human Dopamine receptor D4 using FLIPR assay				J Med Chem 47: 3853-64 (2004) Article DOI: 10.1021/jm030505a BindingDB Entry DOI: 10.7270/Q24B3225
					More data for this Ligand-Target Pair