BDBM50413692 CHEMBL458200

SMILES: CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1

InChI Key: InChIKey=APIPZKSNAUJHEI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50413692   

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))	BDBM50413692 (CHEMBL458200) Show SMILES CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C29H36N4O2/c1-22-9-10-26-27(30-22)7-4-8-28(26)35-18-17-32-13-11-23(12-14-32)19-24-5-3-6-25(20-24)33-16-15-31(2)29(34)21-33/h3-10,20,23H,11-19,21H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]WAY100635 from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 428-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.052 BindingDB Entry DOI: 10.7270/Q2RV0PW0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413692 (CHEMBL458200) Show SMILES CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C29H36N4O2/c1-22-9-10-26-27(30-22)7-4-8-28(26)35-18-17-32-13-11-23(12-14-32)19-24-5-3-6-25(20-24)33-16-15-31(2)29(34)21-33/h3-10,20,23H,11-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 428-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.052 BindingDB Entry DOI: 10.7270/Q2RV0PW0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413692 (CHEMBL458200) Show SMILES CN1CCN(CC1=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1 Show InChI InChI=1S/C29H36N4O2/c1-22-9-10-26-27(30-22)7-4-8-28(26)35-18-17-32-13-11-23(12-14-32)19-24-5-3-6-25(20-24)33-16-15-31(2)29(34)21-33/h3-10,20,23H,11-19,21H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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 5HT1B receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 428-32 (2008) Article DOI: 10.1016/j.bmcl.2008.11.052 BindingDB Entry DOI: 10.7270/Q2RV0PW0
					More data for this Ligand-Target Pair