BDBM50107749 CHEMBL3601021

SMILES: CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=MABBTFRQYAXJAE-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 = 50107749   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50107749 (CHEMBL3601021) Show SMILES CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C27H26ClFN2O/c1-20-12-14-31(15-13-20)16-17-32-25-9-2-21(3-10-25)4-11-27-26(29)18-23(19-30-27)22-5-7-24(28)8-6-22/h2-3,5-10,18-20H,12-17H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	285	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of muscarinic M1 receptor (unknown origin)				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50107749 (CHEMBL3601021) Show SMILES CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C27H26ClFN2O/c1-20-12-14-31(15-13-20)16-17-32-25-9-2-21(3-10-25)4-11-27-26(29)18-23(19-30-27)22-5-7-24(28)8-6-22/h2-3,5-10,18-20H,12-17H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50107749 (CHEMBL3601021) Show SMILES CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C27H26ClFN2O/c1-20-12-14-31(15-13-20)16-17-32-25-9-2-21(3-10-25)4-11-27-26(29)18-23(19-30-27)22-5-7-24(28)8-6-22/h2-3,5-10,18-20H,12-17H2,1H3	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	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of 5HT2A receptor (unknown origin)				Bioorg Med Chem Lett 25: 3264-9 (2015) BindingDB Entry DOI: 10.7270/Q25D8TMB
					More data for this Ligand-Target Pair