BDBM50413506 CHEMBL474617::UR-PI147

SMILES: CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=HICAAISICQLQCN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50413506   

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))	BDBM50413506 (CHEMBL474617 | UR-PI147) Show SMILES CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1 |w:9.9| Show InChI InChI=1S/C20H25N7O2/c1-27(19(29)17-11-14-5-2-3-7-16(14)25-17)10-8-18(28)26-20(21)23-9-4-6-15-12-22-13-24-15/h2-3,5,7,11-13,25H,4,6,8-10H2,1H3,(H,22,24)(H3,21,23,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.55E+3	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 atrium assessed as increase in heart rate				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50413506 (CHEMBL474617 | UR-PI147) Show SMILES CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1 |w:9.9| Show InChI InChI=1S/C20H25N7O2/c1-27(19(29)17-11-14-5-2-3-7-16(14)25-17)10-8-18(28)26-20(21)23-9-4-6-15-12-22-13-24-15/h2-3,5,7,11-13,25H,4,6,8-10H2,1H3,(H,22,24)(H3,21,23,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	347	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H2 receptor expressed in insect Sf9 cells co-expressing GsalphaS fusion protein assessed as gamma[32P]GTP binding by liquid...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50413506 (CHEMBL474617 | UR-PI147) Show SMILES CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1 |w:9.9| Show InChI InChI=1S/C20H25N7O2/c1-27(19(29)17-11-14-5-2-3-7-16(14)25-17)10-8-18(28)26-20(21)23-9-4-6-15-12-22-13-24-15/h2-3,5,7,11-13,25H,4,6,8-10H2,1H3,(H,22,24)(H3,21,23,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	151	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H4 receptor expressed in insect Sf9 cells co-expressing RGS19 fusion protein and Gialpha2, Gbeta1gamma2 assessed as gamma[3...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50413506 (CHEMBL474617 | UR-PI147) Show SMILES CN(CCC(=O)NC(N)=NCCCc1cnc[nH]1)C(=O)c1cc2ccccc2[nH]1 |w:9.9| Show InChI InChI=1S/C20H25N7O2/c1-27(19(29)17-11-14-5-2-3-7-16(14)25-17)10-8-18(28)26-20(21)23-9-4-6-15-12-22-13-24-15/h2-3,5,7,11-13,25H,4,6,8-10H2,1H3,(H,22,24)(H3,21,23,26,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human H3 receptor expressed in insect Sf9 cells co-expressing Gialpha2, Gbeta1gamma2 and RGS4 assessed as gamma[32P]GTP binding b...				J Med Chem 52: 2623-7 (2009) Article DOI: 10.1021/jm9000693 BindingDB Entry DOI: 10.7270/Q2P270BN
					More data for this Ligand-Target Pair