BDBM50019879 CHEMBL279905::[3-(2-Chloro-phenothiazin-10-yl)-propyl]-trimethyl-ammonium; iodide

SMILES: C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12

InChI Key: InChIKey=RGKWYLVIZNCRIY-UHFFFAOYSA-N

Data: 3 KI  1 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 = 50019879   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50019879 (CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019879 (CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against the binding of [3H]-spiperone to Dopamine receptor D2 in rat striatal membranes				J Med Chem 30: 1631-5 (1987) BindingDB Entry DOI: 10.7270/Q2FB51ZZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50019879 (CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for Competitive binding inhibition of [3H]-Spiperone to Dopamine receptor D2 in rat striatal membrane.				Bioorg Med Chem Lett 3: 1241-1244 (1993) Article DOI: 10.1016/S0960-894X(00)80323-6 BindingDB Entry DOI: 10.7270/Q26W9B00
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50019879 (CHEMBL279905 | [3-(2-Chloro-phenothiazin-10-yl)-pr...) Show SMILES C[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C18H22ClN2S/c1-21(2,3)12-6-11-20-15-7-4-5-8-17(15)22-18-10-9-14(19)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi trypanothione reductase				J Med Chem 43: 3148-56 (2000) BindingDB Entry DOI: 10.7270/Q2R78FXC
					More data for this Ligand-Target Pair