BDBM50413565 CHEMBL470217

SMILES: C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12

InChI Key: InChIKey=QEDKPWFZXOCKMT-LJQANCHMSA-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 = 50413565   

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))	BDBM50413565 (CHEMBL470217) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H31FN4O2/c1-18-9-10-22-23(29-18)14-21(28)15-25(22)32-13-12-31(19(2)16-32)11-5-7-20-6-4-8-24-27(20)34-17-26(33)30(24)3/h4,6,8-10,14-15,19H,5,7,11-13,16-17H2,1-3H3/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	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 1A (Homo sapiens (Human))	BDBM50413565 (CHEMBL470217) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H31FN4O2/c1-18-9-10-22-23(29-18)14-21(28)15-25(22)32-13-12-31(19(2)16-32)11-5-7-20-6-4-8-24-27(20)34-17-26(33)30(24)3/h4,6,8-10,14-15,19H,5,7,11-13,16-17H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	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 1D (Homo sapiens (Human))	BDBM50413565 (CHEMBL470217) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H31FN4O2/c1-18-9-10-22-23(29-18)14-21(28)15-25(22)32-13-12-31(19(2)16-32)11-5-7-20-6-4-8-24-27(20)34-17-26(33)30(24)3/h4,6,8-10,14-15,19H,5,7,11-13,16-17H2,1-3H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	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 1B (Homo sapiens (Human))	BDBM50413565 (CHEMBL470217) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H31FN4O2/c1-18-9-10-22-23(29-18)14-21(28)15-25(22)32-13-12-31(19(2)16-32)11-5-7-20-6-4-8-24-27(20)34-17-26(33)30(24)3/h4,6,8-10,14-15,19H,5,7,11-13,16-17H2,1-3H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank 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 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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50413565 (CHEMBL470217) Show SMILES C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12 |r| Show InChI InChI=1S/C27H31FN4O2/c1-18-9-10-22-23(29-18)14-21(28)15-25(22)32-13-12-31(19(2)16-32)11-5-7-20-6-4-8-24-27(20)34-17-26(33)30(24)3/h4,6,8-10,14-15,19H,5,7,11-13,16-17H2,1-3H3/t19-/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	3.16E+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