BDBM50054974 2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine::2-(5-{4-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine::CHEMBL144030

SMILES: NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12

InChI Key: InChIKey=IFTLFEAARDEHJJ-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 50054974   

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 1B (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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 1B (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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 Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1B receptor in CHO-K1 cells				J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	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 Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cells				J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	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 1A (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1A receptor in CHO-K1 cells				J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50054974 (2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...) Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12 Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2	PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of forskolin-stimulated c-AMP formation by human 5-hydroxytryptamine 1B receptor expressed in CHO-K1 cells				J Med Chem 39: 4920-7 (1997) Article DOI: 10.1021/jm960552l BindingDB Entry DOI: 10.7270/Q23B5Z7M
					More data for this Ligand-Target Pair