BDBM50412729 CHEMBL492437

SMILES: C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1

InChI Key: InChIKey=FTPFTSZCIOVABV-QHCPKHFHSA-N

Data: 4 Kd

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 4 hits for monomerid = 50412729   

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 M3 (Homo sapiens (Human))	BDBM50412729 (CHEMBL492437) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...				J Med Chem 51: 5915-8 (2008) Article DOI: 10.1021/jm800935u BindingDB Entry DOI: 10.7270/Q21G0NHB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50412729 (CHEMBL492437) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobili...				Bioorg Med Chem Lett 19: 1686-90 (2009) Article DOI: 10.1016/j.bmcl.2009.01.098 BindingDB Entry DOI: 10.7270/Q2639QZ5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50412729 (CHEMBL492437) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M2 receptor-Gqi5 chimeric protein expressed in CHO cells assessed as acetylcholine-induced change in cytosol...				J Med Chem 51: 5915-8 (2008) Article DOI: 10.1021/jm800935u BindingDB Entry DOI: 10.7270/Q21G0NHB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50412729 (CHEMBL492437) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CN4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C31H38FN5O/c1-23-20-37(15-12-34-23)22-25-4-2-6-27(16-25)29-18-24(8-9-30(29)32)19-35-31(38)28-7-3-5-26(17-28)21-36-13-10-33-11-14-36/h2-9,16-18,23,33-34H,10-15,19-22H2,1H3,(H,35,38)/t23-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells assessed as acetylcholine-induced change in cytosolic calcium concentrati...				J Med Chem 51: 5915-8 (2008) Article DOI: 10.1021/jm800935u BindingDB Entry DOI: 10.7270/Q21G0NHB
					More data for this Ligand-Target Pair