BDBM50050170 (4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester::CHEMBL16874

SMILES: Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1

InChI Key: InChIKey=WJGCASKOKIVMPM-UHFFFAOYSA-N

Data: 7 KI

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 7 hits for monomerid = 50050170   

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 H3 receptor (Rattus norvegicus (rat))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description Binding affinity towards Histamine H3 receptor on synaptosomes from rat cerebral cortex				J Med Chem 39: 1220-6 (1996) Article DOI: 10.1021/jm9504767 BindingDB Entry DOI: 10.7270/Q28K7855
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex				J Med Chem 39: 1220-6 (1996) Article DOI: 10.1021/jm9504767 BindingDB Entry DOI: 10.7270/Q28K7855
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description Binding affinity against Histamine H3 receptor on Synaptosomes from rat cerebral cortex was evaluated				J Med Chem 39: 1157-63 (1996) Article DOI: 10.1021/jm9507688 BindingDB Entry DOI: 10.7270/Q2SF2V7G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonistic activity of the compound against Histamine H3 receptor on Synaptosomes of rat cerebral cortex.				J Med Chem 39: 1157-63 (1996) Article DOI: 10.1021/jm9507688 BindingDB Entry DOI: 10.7270/Q2SF2V7G
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description In vitro antagonistic activity tested against Histamine H3 receptor on synaptosomes from rat cerebral cortex				J Med Chem 39: 1220-6 (1996) Article DOI: 10.1021/jm9504767 BindingDB Entry DOI: 10.7270/Q28K7855
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description Binding affinity against H2 receptor of Guinea pig atrium				J Med Chem 39: 1157-63 (1996) Article DOI: 10.1021/jm9507688 BindingDB Entry DOI: 10.7270/Q2SF2V7G
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50050170 ((4-Iodo-phenyl)-carbamic acid 3-(1H-imidazol-4-yl)...) Show SMILES Ic1ccc(NC(=O)OCCCc2cnc[nH]2)cc1 Show InChI InChI=1S/C13H14IN3O2/c14-10-3-5-11(6-4-10)17-13(18)19-7-1-2-12-8-15-9-16-12/h3-6,8-9H,1-2,7H2,(H,15,16)(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universität Berlin Curated by ChEMBL					Assay Description Binding affinity against H1 receptor of Guinea pig ileum				J Med Chem 39: 1157-63 (1996) Article DOI: 10.1021/jm9507688 BindingDB Entry DOI: 10.7270/Q2SF2V7G
					More data for this Ligand-Target Pair