BDBM50031122 CHEMBL3357042

SMILES: [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12

InChI Key: InChIKey=CLTMMUQENFHOIL-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50031122   

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
Histamine H1 receptor (Homo sapiens (Human))	BDBM50031122 (CHEMBL3357042) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C24H27ClN2O/c1-16(2)14-22(28)27-12-9-17(10-13-27)23-21-8-7-20(25)15-19(21)6-5-18-4-3-11-26-24(18)23/h3-4,7-8,11,15-16H,5-6,9-10,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method				J Med Chem 57: 9473-9 (2014) Article DOI: 10.1021/jm501086v BindingDB Entry DOI: 10.7270/Q22F7Q1H
					More data for this Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2 (Homo sapiens (Human))	BDBM50031122 (CHEMBL3357042) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 Show InChI InChI=1S/C24H27ClN2O/c1-16(2)14-22(28)27-12-9-17(10-13-27)23-21-8-7-20(25)15-19(21)6-5-18-4-3-11-26-24(18)23/h3-4,7-8,11,15-16H,5-6,9-10,12-14H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Psychiatry Curated by ChEMBL					Assay Description Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay				J Med Chem 57: 9473-9 (2014) Article DOI: 10.1021/jm501086v BindingDB Entry DOI: 10.7270/Q22F7Q1H
					More data for this Ligand-Target Pair