BDBM50265999 CHEMBL4089376

SMILES: CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl

InChI Key: InChIKey=TYTGOXSAAQWLPJ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 3 PDB IDs match this monomer.

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 = 50265999   

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 M2 and M5 (Homo sapiens (Human))	BDBM50265999 (CHEMBL4089376) Show SMILES CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]UNSW-MK259 from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting ...				J Med Chem 60: 3314-3334 (2017) BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50265999 (CHEMBL4089376) Show SMILES CN1CCN(CC1)C(=O)COc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl Show InChI InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay				J Med Chem 60: 3314-3334 (2017) BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair				3D Structure (crystal)