BindingDB PrimarySearch

BDBM50312777 (S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2'-methoxybiphenyl-4-yl)methanone::CHEMBL1081212

SMILES: COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1

InChI Key: InChIKey=WGTCBXOFOSMWEQ-IBGZPJMESA-N

Data: 12 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50312777
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of histamine H2 receptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine D2 rceptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of 5HT2A (receptor)				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of 5HT2C (receptor)				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of muscarinic M3 receptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of alpha2A adrenergic receptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine D3 rceptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of DAT				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of kappa opioid receptor				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50312777 ((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human GHSR expressed in CHOK1 cells assessed as inhibition of ghrelin-induced intracellular calcium flux by aequorin flash lum...				Bioorg Med Chem Lett 20: 1758-62 (2010) Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair