BDBM50417409 CHEMBL1290487

SMILES: CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12

InChI Key: InChIKey=YGGWPFVYONWFMB-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 = 50417409   

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))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0794	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 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	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 5-HT1A receptor expressed in HEK293 cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 Antagonist activity at human 5-HT1B receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.6	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 in human SERT expressed in LLCPK cells by filtration assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair
Transcriptional regulator ERG (Homo sapiens (Human))	BDBM50417409 (CHEMBL1290487) Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12 Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+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 in human ERG expressed in CHO cells by proximity assay				Bioorg Med Chem Lett 20: 7092-6 (2010) Article DOI: 10.1016/j.bmcl.2010.09.085 BindingDB Entry DOI: 10.7270/Q2MC919V
					More data for this Ligand-Target Pair