BDBM50413072 CHEMBL495703

SMILES: C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12

InChI Key: InChIKey=DZBLKVHBOHYUNY-SFHVURJKSA-N

Data: 4 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 4 hits for monomerid = 50413072   

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))	BDBM50413072 (CHEMBL495703) Show SMILES C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C25H28N4O2/c1-17-6-8-20-21(26-17)4-3-5-23(20)29-13-12-28(18(2)15-29)11-10-19-7-9-24-22(14-19)27-25(30)16-31-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,27,30)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	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 from human SerT expressed pig LLCPK cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50413072 (CHEMBL495703) Show SMILES C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C25H28N4O2/c1-17-6-8-20-21(26-17)4-3-5-23(20)29-13-12-28(18(2)15-29)11-10-19-7-9-24-22(14-19)27-25(30)16-31-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	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 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50413072 (CHEMBL495703) Show SMILES C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C25H28N4O2/c1-17-6-8-20-21(26-17)4-3-5-23(20)29-13-12-28(18(2)15-29)11-10-19-7-9-24-22(14-19)27-25(30)16-31-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,27,30)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50413072 (CHEMBL495703) Show SMILES C[C@H]1CN(CCN1CCc1ccc2OCC(=O)Nc2c1)c1cccc2nc(C)ccc12 |r| Show InChI InChI=1S/C25H28N4O2/c1-17-6-8-20-21(26-17)4-3-5-23(20)29-13-12-28(18(2)15-29)11-10-19-7-9-24-22(14-19)27-25(30)16-31-24/h3-9,14,18H,10-13,15-16H2,1-2H3,(H,27,30)/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16	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]WAY-100635 from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem Lett 18: 5653-6 (2008) Article DOI: 10.1016/j.bmcl.2008.08.084 BindingDB Entry DOI: 10.7270/Q2BR8TC6
					More data for this Ligand-Target Pair