BDBM50413556 CHEMBL469995

SMILES: Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1

InChI Key: InChIKey=VCTIQXJXIBDCGH-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50413556   

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))	BDBM50413556 (CHEMBL469995) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C28H32N4O2/c1-20-8-11-23-24(29-20)5-3-6-25(23)31-16-14-30(15-17-31)13-12-22-4-2-7-26-28(22)34-19-27(33)32(26)18-21-9-10-21/h2-8,11,21H,9-10,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413556 (CHEMBL469995) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C28H32N4O2/c1-20-8-11-23-24(29-20)5-3-6-25(23)31-16-14-30(15-17-31)13-12-22-4-2-7-26-28(22)34-19-27(33)32(26)18-21-9-10-21/h2-8,11,21H,9-10,12-19H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413556 (CHEMBL469995) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C28H32N4O2/c1-20-8-11-23-24(29-20)5-3-6-25(23)31-16-14-30(15-17-31)13-12-22-4-2-7-26-28(22)34-19-27(33)32(26)18-21-9-10-21/h2-8,11,21H,9-10,12-19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human 5HT1B assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50413556 (CHEMBL469995) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C28H32N4O2/c1-20-8-11-23-24(29-20)5-3-6-25(23)31-16-14-30(15-17-31)13-12-22-4-2-7-26-28(22)34-19-27(33)32(26)18-21-9-10-21/h2-8,11,21H,9-10,12-19H2,1H3	PDB 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]citalopram human SerT receptor expressed in LLCPK cells				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50413556 (CHEMBL469995) Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(CC4CC4)C(=O)COc23)CC1 Show InChI InChI=1S/C28H32N4O2/c1-20-8-11-23-24(29-20)5-3-6-25(23)31-16-14-30(15-17-31)13-12-22-4-2-7-26-28(22)34-19-27(33)32(26)18-21-9-10-21/h2-8,11,21H,9-10,12-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58E+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]dofetilide human ERG expressed in CHO cells				Bioorg Med Chem Lett 19: 2338-42 (2009) Article DOI: 10.1016/j.bmcl.2009.02.056 BindingDB Entry DOI: 10.7270/Q2J967MX
					More data for this Ligand-Target Pair