BDBM50330444 3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-quinazolin-4-one::CHEMBL1277371

SMILES: Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O

InChI Key: InChIKey=WCGCGRZZPCFDSO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50330444   

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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330444 (3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-y...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]BRL-43694 from human 5HT3 receptor expressed in HEK293 cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50330444 (3-Amino-7-nitro-2-[3-(4-quinolin-2-ylpiperazin-1-y...) Show SMILES Nn1c(SCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2cc(ccc2c1=O)[N+]([O-])=O Show InChI InChI=1S/C24H25N7O3S/c25-30-23(32)19-8-7-18(31(33)34)16-21(19)27-24(30)35-15-3-10-28-11-13-29(14-12-28)22-9-6-17-4-1-2-5-20(17)26-22/h1-2,4-9,16H,3,10-15,25H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 53: 7549-63 (2010) Article DOI: 10.1021/jm1002292 BindingDB Entry DOI: 10.7270/Q27082D1
					More data for this Ligand-Target Pair