BDBM50377986 CHEMBL483406::UR-AK24

SMILES: CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1

InChI Key: InChIKey=NTHUVTORAXKPJS-UHFFFAOYSA-N

Data: 1 Kd  12 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 13 hits for monomerid = 50377986   

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 H4 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	15	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 H2 Receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	68	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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	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 H3 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	2.5	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
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	67	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay				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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at guinea pig recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay				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 H2 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	63	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing Gsalphas by steady-state GTPase activity assay				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	15.3	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H4 receptor-RGS4 fusion protein expressed in Sf9 cells coexpressing Galphai2 and G-beta-1-gamma-2 by steady-s...				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 H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	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))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.35E+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
Histamine receptor (H3 and H4) (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	16	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human recombinant histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2 by steady-state GTPase ...				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	2.5	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gsalpha2, Gbeta1gamma2 and RGS19 by steady-state GTPase activity ...				Bioorg Med Chem Lett 20: 7191-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.041 BindingDB Entry DOI: 10.7270/Q2Q81GX5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50377986 (CHEMBL483406 | UR-AK24) Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:8.8| Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)	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	2.45	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, G-beta-1-gamma-2 and RGS4 by steady-state GTPase act...				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