BDBM50330445 7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-5,6,7,8-tetrahydro-3H-pyrido[4',3':4,5]thieno[2,3-d]pyridin-4-one::CHEMBL1277558

SMILES: CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21

InChI Key: InChIKey=OMACXBJTMXFHCQ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50330445   

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 1A (Homo sapiens (Human))	BDBM50330445 (7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...) Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21 Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50330445 (7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...) Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21 Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77.6	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))	BDBM50330445 (7-Acetyl-3-amino-2-[3-(4-quinolin-2-ylpiperazin-1-...) Show SMILES CC(=O)N1CCc2c(C1)sc1nc(SCCCN3CCN(CC3)c3ccc4ccccc4n3)n(N)c(=O)c21 Show InChI InChI=1S/C27H31N7O2S2/c1-18(35)33-11-9-20-22(17-33)38-25-24(20)26(36)34(28)27(30-25)37-16-4-10-31-12-14-32(15-13-31)23-8-7-19-5-2-3-6-21(19)29-23/h2-3,5-8H,4,9-17,28H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
ASKA Pharmaceutical Co, Ltd Curated by ChEMBL					Assay Description Agonist activity at human cloned 5HT1A receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 30 mins by liquid scin...				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