BDBM50403959 CHEMBL79838

SMILES: Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1

InChI Key: InChIKey=OZETYYSIKGRYTO-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50403959   

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))	BDBM50403959 (CHEMBL79838) Show SMILES Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1 Show InChI InChI=1S/C27H28ClN3O/c28-22-8-5-9-23(17-22)30-14-12-29(13-15-30)19-24-18-27-25-10-3-1-6-20(25)16-21-7-2-4-11-26(21)31(27)32-24/h1-11,17,24,27H,12-16,18-19H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50403959 (CHEMBL79838) Show SMILES Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1 Show InChI InChI=1S/C27H28ClN3O/c28-22-8-5-9-23(17-22)30-14-12-29(13-15-30)19-24-18-27-25-10-3-1-6-20(25)16-21-7-2-4-11-26(21)31(27)32-24/h1-11,17,24,27H,12-16,18-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50403959 (CHEMBL79838) Show SMILES Clc1cccc(c1)N1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1 Show InChI InChI=1S/C27H28ClN3O/c28-22-8-5-9-23(17-22)30-14-12-29(13-15-30)19-24-18-27-25-10-3-1-6-20(25)16-21-7-2-4-11-26(21)31(27)32-24/h1-11,17,24,27H,12-16,18-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair