BDBM50413171 CHEMBL472273

SMILES: NC(NC(=O)CC(c1ccc(F)cc1)c1ccccn1)=NCCCc1cnc[nH]1

InChI Key: InChIKey=UTJRWVBWVPCMQL-UHFFFAOYSA-N

Data: 1 Kd  1 EC50

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 = 50413171   

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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50413171 (CHEMBL472273) Show SMILES NC(NC(=O)CC(c1ccc(F)cc1)c1ccccn1)=NCCCc1cnc[nH]1 |w:20.22| Show InChI InChI=1S/C21H23FN6O/c22-16-8-6-15(7-9-16)18(19-5-1-2-10-25-19)12-20(29)28-21(23)26-11-3-4-17-13-24-14-27-17/h1-2,5-10,13-14,18H,3-4,11-12H2,(H,24,27)(H3,23,26,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33.9	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity				J Med Chem 51: 7193-204 (2009) Article DOI: 10.1021/jm800841w BindingDB Entry DOI: 10.7270/Q2RN38T6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50413171 (CHEMBL472273) Show SMILES NC(NC(=O)CC(c1ccc(F)cc1)c1ccccn1)=NCCCc1cnc[nH]1 |w:20.22| Show InChI InChI=1S/C21H23FN6O/c22-16-8-6-15(7-9-16)18(19-5-1-2-10-25-19)12-20(29)28-21(23)26-11-3-4-17-13-24-14-27-17/h1-2,5-10,13-14,18H,3-4,11-12H2,(H,24,27)(H3,23,26,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity				J Med Chem 51: 7193-204 (2009) Article DOI: 10.1021/jm800841w BindingDB Entry DOI: 10.7270/Q2RN38T6
					More data for this Ligand-Target Pair