BDBM50413563 CHEMBL469376

SMILES: C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12

InChI Key: InChIKey=GIQHYUIXZZZJQF-HXUWFJFHSA-N

Data: 4 KI  1 EC50

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 = 50413563   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50413563 (CHEMBL469376) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H32N4O2/c1-19-12-13-22-23(28-19)9-5-10-24(22)31-16-15-30(20(2)17-31)14-6-8-21-7-4-11-25-27(21)33-18-26(32)29(25)3/h4-5,7,9-13,20H,6,8,14-18H2,1-3H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.501	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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413563 (CHEMBL469376) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H32N4O2/c1-19-12-13-22-23(28-19)9-5-10-24(22)31-16-15-30(20(2)17-31)14-6-8-21-7-4-11-25-27(21)33-18-26(32)29(25)3/h4-5,7,9-13,20H,6,8,14-18H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 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))	BDBM50413563 (CHEMBL469376) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H32N4O2/c1-19-12-13-22-23(28-19)9-5-10-24(22)31-16-15-30(20(2)17-31)14-6-8-21-7-4-11-25-27(21)33-18-26(32)29(25)3/h4-5,7,9-13,20H,6,8,14-18H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50413563 (CHEMBL469376) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H32N4O2/c1-19-12-13-22-23(28-19)9-5-10-24(22)31-16-15-30(20(2)17-31)14-6-8-21-7-4-11-25-27(21)33-18-26(32)29(25)3/h4-5,7,9-13,20H,6,8,14-18H2,1-3H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.31E+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
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413563 (CHEMBL469376) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H32N4O2/c1-19-12-13-22-23(28-19)9-5-10-24(22)31-16-15-30(20(2)17-31)14-6-8-21-7-4-11-25-27(21)33-18-26(32)29(25)3/h4-5,7,9-13,20H,6,8,14-18H2,1-3H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human 5HT1B assessed as GTPgammaS binding by scintillation proximity assay				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