BDBM50240543 CHEMBL4096589

SMILES: Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1

InChI Key: InChIKey=AVVMQHQEYKLYQE-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50240543   

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 M4 (Homo sapiens (Human))	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at rat M4 receptor by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M1 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M2 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M3 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M5 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at rat M4 receptor by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50240543 (CHEMBL4096589) Show SMILES Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C24H22F2N4O2/c25-19-5-6-21(20(26)11-19)32-23-12-22(27-15-28-23)29-9-7-16(8-10-29)24(31)30-13-17-3-1-2-4-18(17)14-30/h1-6,11-12,15-16H,7-10,13-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair