BDBM50130078 9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole::CHEMBL312762

SMILES: CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12

InChI Key: InChIKey=MWDZHASMPATZME-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 = 50130078   

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 2C (Homo sapiens (Human))	BDBM50130078 (9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...) Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12 Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50130078 (9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...) Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12 Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130078 (9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...) Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12 Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	116	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50130078 (9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...) Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12 Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130078 (9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...) Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12 Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50130078 (9-Chloro-7-(2-ethoxy-phenyl)-2,3,4,5,11,11a-hexahy...) Show SMILES CCOc1ccccc1-c1cc(Cl)cc2CC3CCNCCN3c12 Show InChI InChI=1S/C20H23ClN2O/c1-2-24-19-6-4-3-5-17(19)18-13-15(21)11-14-12-16-7-8-22-9-10-23(16)20(14)18/h3-6,11,13,16,22H,2,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Corporation Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioligand.				Bioorg Med Chem Lett 13: 2369-72 (2003) BindingDB Entry DOI: 10.7270/Q2B857GJ
					More data for this Ligand-Target Pair