BDBM50386955 CHEMBL2048820

SMILES: Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1

InChI Key: InChIKey=MTDYDDJVCIHZKH-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50386955   

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
Ghrelin receptor (Homo sapiens (Human))	BDBM50386955 (CHEMBL2048820) Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting				Bioorg Med Chem Lett 23: 5410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.07.044 BindingDB Entry DOI: 10.7270/Q25H7HP5
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50386955 (CHEMBL2048820) Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA				Bioorg Med Chem Lett 22: 4281-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.024 BindingDB Entry DOI: 10.7270/Q2P2705D
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50386955 (CHEMBL2048820) Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	269	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin)				Bioorg Med Chem Lett 23: 5410-4 (2013) Article DOI: 10.1016/j.bmcl.2013.07.044 BindingDB Entry DOI: 10.7270/Q25H7HP5
					More data for this Ligand-Target Pair
Ghrelin receptor (Homo sapiens (Human))	BDBM50386955 (CHEMBL2048820) Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1 Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA				Bioorg Med Chem Lett 22: 4281-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.024 BindingDB Entry DOI: 10.7270/Q2P2705D
					More data for this Ligand-Target Pair