BDBM50403677 CHEMBL88075

SMILES: CNCCc1cnc([nH]1)-c1cccc(Br)c1

InChI Key: InChIKey=NQRXNALEAZSQLF-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 = 50403677   

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 (Cavia porcellus)	BDBM50403677 (CHEMBL88075) Show SMILES CNCCc1cnc([nH]1)-c1cccc(Br)c1 Show InChI InChI=1S/C12H14BrN3/c1-14-6-5-11-8-15-12(16-11)9-3-2-4-10(13)7-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)	MMDB Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Compound was tested for its agonist activity against M3-acetylcholine receptor of guinea pig ileum.				Bioorg Med Chem Lett 8: 2583-8 (1999) BindingDB Entry DOI: 10.7270/Q2G1621V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50403677 (CHEMBL88075) Show SMILES CNCCc1cnc([nH]1)-c1cccc(Br)c1 Show InChI InChI=1S/C12H14BrN3/c1-14-6-5-11-8-15-12(16-11)9-3-2-4-10(13)7-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.977	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Compound was tested for the contractile effects antagonized by mepyramine (1-1000 nM) against Histamine H1 receptor of guinea pig aorta.				Bioorg Med Chem Lett 8: 2583-8 (1999) BindingDB Entry DOI: 10.7270/Q2G1621V
					More data for this Ligand-Target Pair
HRH3 (GUINEA PIG)	BDBM50403677 (CHEMBL88075) Show SMILES CNCCc1cnc([nH]1)-c1cccc(Br)c1 Show InChI InChI=1S/C12H14BrN3/c1-14-6-5-11-8-15-12(16-11)9-3-2-4-10(13)7-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Compound was tested for the agonist activity against histamine H3 receptor of guinea pig ileum				Bioorg Med Chem Lett 8: 2583-8 (1999) BindingDB Entry DOI: 10.7270/Q2G1621V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50403677 (CHEMBL88075) Show SMILES CNCCc1cnc([nH]1)-c1cccc(Br)c1 Show InChI InChI=1S/C12H14BrN3/c1-14-6-5-11-8-15-12(16-11)9-3-2-4-10(13)7-9/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.741	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Contractile effects antagonized by mepyramine (0.3-100 nM) against Histamine H1 receptor in guinea pig ileum				Bioorg Med Chem Lett 8: 2583-8 (1999) BindingDB Entry DOI: 10.7270/Q2G1621V
					More data for this Ligand-Target Pair