BDBM50309344 8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7(1H)-one::CHEMBL590483

SMILES: Clc1cccc2N3CCNCCC3NC(=O)c12

InChI Key: InChIKey=HWBGCKUNZQBLGD-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50309344   

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))	BDBM50309344 (8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50309344 (8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50309344 (8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50309344 (8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50309344 (8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50309344 (8-chloro-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) Show SMILES Clc1cccc2N3CCNCCC3NC(=O)c12 Show InChI InChI=1S/C12H14ClN3O/c13-8-2-1-3-9-11(8)12(17)15-10-4-5-14-6-7-16(9)10/h1-3,10,14H,4-7H2,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co Curated by ChEMBL					Assay Description Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay				Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK
					More data for this Ligand-Target Pair