BDBM50413697 CHEMBL456684

SMILES: Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1

InChI Key: InChIKey=UQEVOSZWLMVVJM-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 = 50413697   

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 1D (Homo sapiens (Human))	BDBM50413697 (CHEMBL456684) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1 Show InChI InChI=1S/C28H35N3O/c1-22-10-11-26-27(29-22)8-5-9-28(26)32-19-18-30-16-12-23(13-17-30)20-24-6-4-7-25(21-24)31-14-2-3-15-31/h4-11,21,23H,2-3,12-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	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 1A (Homo sapiens (Human))	BDBM50413697 (CHEMBL456684) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1 Show InChI InChI=1S/C28H35N3O/c1-22-10-11-26-27(29-22)8-5-9-28(26)32-19-18-30-16-12-23(13-17-30)20-24-6-4-7-25(21-24)31-14-2-3-15-31/h4-11,21,23H,2-3,12-20H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 [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 1B (Homo sapiens (Human))	BDBM50413697 (CHEMBL456684) Show SMILES Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1 Show InChI InChI=1S/C28H35N3O/c1-22-10-11-26-27(29-22)8-5-9-28(26)32-19-18-30-16-12-23(13-17-30)20-24-6-4-7-25(21-24)31-14-2-3-15-31/h4-11,21,23H,2-3,12-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	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