BDBM50070409 2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yloxy)ethoxy)-1H-indol-3-yl)ethanamine::2-(5-{2-[8-(4-Methyl-piperazin-1-yl)-naphthalen-2-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine::CHEMBL31217

SMILES: CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12

InChI Key: InChIKey=CCEYDGKRXQRJOJ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50070409   

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))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at human recombinant 5-hydroxytryptamine 1D receptor using [3H]-5-CT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at human recombinant 5-hydroxytryptamine 1B receptor using [3H]-5-CT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50070409 (2-(5-(2-(8-(4-methylpiperazin-1-yl)naphthalen-2-yl...) Show SMILES CN1CCN(CC1)c1cccc2ccc(OCCOc3ccc4[nH]cc(CCN)c4c3)cc12 Show InChI InChI=1S/C27H32N4O2/c1-30-11-13-31(14-12-30)27-4-2-3-20-5-6-22(18-25(20)27)32-15-16-33-23-7-8-26-24(17-23)21(9-10-28)19-29-26/h2-8,17-19,29H,9-16,28H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre FABRE Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated at human recombinant 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 8: 1407-12 (1999) BindingDB Entry DOI: 10.7270/Q2SQ8ZJS
					More data for this Ligand-Target Pair