BDBM50409772 CHEMBL347796

SMILES: C(CCc1ccccn1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1

InChI Key: InChIKey=XPTQCQILQOIXEE-UHFFFAOYSA-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 = 50409772   

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
Histamine H1 receptor (RAT)	BDBM50409772 (CHEMBL347796) Show SMILES C(CCc1ccccn1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1 Show InChI InChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Apparent pA2 value of compound at 50 nM concentration of mepyramine in rat aorta				J Med Chem 46: 5458-70 (2003) Article DOI: 10.1021/jm0309147 BindingDB Entry DOI: 10.7270/Q2CN753N
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Cavia porcellus)	BDBM50409772 (CHEMBL347796) Show SMILES C(CCc1ccccn1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1 Show InChI InChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Antagonistic activity for carbachol induced contractions in guinea pig ileum against Muscarinic acetylcholine receptor M3 in the presence of mepyrami...				J Med Chem 46: 5458-70 (2003) Article DOI: 10.1021/jm0309147 BindingDB Entry DOI: 10.7270/Q2CN753N
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50409772 (CHEMBL347796) Show SMILES C(CCc1ccccn1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1 Show InChI InChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.62	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Apparent pA2 value of compound at 10 nM concentration of mepyramine in guinea pig ileum				J Med Chem 46: 5458-70 (2003) Article DOI: 10.1021/jm0309147 BindingDB Entry DOI: 10.7270/Q2CN753N
					More data for this Ligand-Target Pair
HRH3 (GUINEA PIG)	BDBM50409772 (CHEMBL347796) Show SMILES C(CCc1ccccn1)CNCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1 Show InChI InChI=1S/C29H34N4/c1-3-11-24(12-4-1)28(25-13-5-2-6-14-25)17-18-29-32-23-27(33-29)19-22-30-20-9-7-15-26-16-8-10-21-31-26/h1-6,8,10-14,16,21,23,28,30H,7,9,15,17-20,22H2,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>501	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Tetsed for Antagonistic activity at histamine H3 receptor in guinea pig ileal longitudinal muscle in the presence of mepyramine at a concentration of...				J Med Chem 46: 5458-70 (2003) Article DOI: 10.1021/jm0309147 BindingDB Entry DOI: 10.7270/Q2CN753N
					More data for this Ligand-Target Pair