BDBM50412115 CHEMBL495160

SMILES: CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1

InChI Key: InChIKey=KITBABOYAHPNCD-UHFFFAOYSA-N

Data: 4 KI

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 = 50412115   

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))	BDBM50412115 (CHEMBL495160) Show SMILES CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1 Show InChI InChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50412115 (CHEMBL495160) Show SMILES CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1 Show InChI InChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human recombinant 5HT1D receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50412115 (CHEMBL495160) Show SMILES CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1 Show InChI InChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human recombinant 5HT1B receptor				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50412115 (CHEMBL495160) Show SMILES CC(=O)Nc1ccc(CN2CCN(CCOc3cccc4nc(C)ccc34)CC2)cc1 Show InChI InChI=1S/C25H30N4O2/c1-19-6-11-23-24(26-19)4-3-5-25(23)31-17-16-28-12-14-29(15-13-28)18-21-7-9-22(10-8-21)27-20(2)30/h3-11H,12-18H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomes				J Med Chem 51: 2887-90 (2008) Article DOI: 10.1021/jm8001444 BindingDB Entry DOI: 10.7270/Q2DV1M4K
					More data for this Ligand-Target Pair