BindingDB PrimarySearch

BDBM50130273 2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethanol::2-chloro-10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)phenothiazine::2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol::4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1-piperazineethanol::4-[3-(2-chlorophenothiazin-10-yl)propyl]-1-piperazineethanol::CHEMBL567::Chlorpiprazine::PERPHENAZINE::Perfenazine::Perphenazin::Trilafon::gamma-(4-(beta-hydroxyethyl)piperazin-1-yl)propyl-2-chlorophenothiazine

SMILES: OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

InChI Key: InChIKey=RGCVKNLCSQQDEP-UHFFFAOYSA-N

Data: 44 KI 22 IC50 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 67 hits for monomerid = 50130273
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tongji University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method				Drug Metab Dispos 41: 60-71 (2012) Article DOI: 10.1124/dmd.112.048264 BindingDB Entry DOI: 10.7270/Q2K0761G
Tongji University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Rattus norvegicus)	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of rat aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Macaca fascicularis)	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of monkey aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of human aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Mus musculus)	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Inhibition of mouse aldehyde oxidase				J Med Chem 53: 8441-60 (2010) Article DOI: 10.1021/jm100888d BindingDB Entry DOI: 10.7270/Q2057G6G
Pfizer Inc Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at dopamine D2 receptor (unknown origin) expressed in CHOK1 cells coexpressing Galpha15 assessed as inhibition of agonist-induced...				J Med Chem 56: 4671-90 (2013) Article DOI: 10.1021/jm400408r BindingDB Entry DOI: 10.7270/Q2R49S50
					More data for this Ligand-Target Pair
Pleiotropic ABC efflux transporter of multiple drugs (Saccharomyces cerevisiae S288c)	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw Medical University Curated by ChEMBL					Assay Description Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay				Antimicrob Agents Chemother 53: 1516-27 (2009) Article DOI: 10.1128/AAC.00956-08 BindingDB Entry DOI: 10.7270/Q2125TNZ
Wroclaw Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Albumin (Bos taurus)	BDBM50130273 (2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.31E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to bovine serum albumin by circular dichroic probe technique				J Med Chem 20: 430-9 (1977) Article DOI: 10.1021/jm00213a022 BindingDB Entry DOI: 10.7270/Q2ZC85WV
TBA Curated by ChEMBL					More data for this Ligand-Target Pair

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