BindingDB PrimarySearch

BDBM22893 CHEMBL512::Ranitidine::ZANTAC::dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine

SMILES: CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1

InChI Key: InChIKey=HZIQBJWHRYXWSD-UHFFFAOYSA-O

Data: 12 KI 11 IC50 2 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 22893
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Pharmaceutical Research Laboratories Curated by PDSP K_i Database									Nature 304: 65-7 (1983) Article DOI: 10.1038/304065a0 BindingDB Entry DOI: 10.7270/Q2930RN2
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h...				J Med Chem 25: 207-10 (1982) BindingDB Entry DOI: 10.7270/Q2HH6M8R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
HRH3 (RAT)	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase 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
Glaxo Research & Development Ltd. Curated by PDSP K_i Database									Eur J Pharmacol 311: 305-10 (1996) Article DOI: 10.1016/0014-2999(96)00428-1 BindingDB Entry DOI: 10.7270/Q2ZG6QSD
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R.W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									Mol Pharmacol 55: 1101-7 (1999) BindingDB Entry DOI: 10.7270/Q2DR2T2H
					More data for this Ligand-Target Pair
HRH3 (RAT)	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Curated by PDSP K_i Database									J Neurochem 55: 1612-6 (1990) Article DOI: 10.1111/j.1471-4159.1990.tb04946.x BindingDB Entry DOI: 10.7270/Q2X63KF2
Schering-Plough Research Curated by PDSP K_i Database					More data for this Ligand-Target Pair
HRH3 (RAT)	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research & Development Ltd. Curated by PDSP K_i Database									Eur J Pharmacol 311: 305-10 (1996) Article DOI: 10.1016/0014-2999(96)00428-1 BindingDB Entry DOI: 10.7270/Q2ZG6QSD
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université Libre de Bruxelles Curated by PDSP K_i Database									Eur J Biochem 224: 489-95 (1994) Article DOI: 10.1111/j.1432-1033.1994.00489.x BindingDB Entry DOI: 10.7270/Q2H70DB4
Université Libre de Bruxelles Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP K_i Database									Brain Res 304: 1-7 (1984) Article DOI: 10.1016/0006-8993(84)90856-4 BindingDB Entry DOI: 10.7270/Q21N7ZMS
Mayo Foundation Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									Mol Pharmacol 59: 420-6 (2001) Article DOI: 10.1124/mol.59.3.420 BindingDB Entry DOI: 10.7270/Q26Q1VSR
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by PDSP K_i Database									Mol Pharmacol 59: 420-6 (2001) Article DOI: 10.1124/mol.59.3.420 BindingDB Entry DOI: 10.7270/Q26Q1VSR
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam					Assay Description Ligand displacement assays were performed on The SK-N-MC/hH4R cell homogenates. Retained radioactivity was determined by liquid scintillation countin...				J Pharmacol Exp Ther 314: 1310-21 (2005) Article DOI: 10.1124/jpet.105.087965 BindingDB Entry DOI: 10.7270/Q2KD1W6V
Vrije Universiteit Amsterdam					More data for this Ligand-Target Pair
Imidazoline I1 (RAT)	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by PDSP K_i Database									J Pharmacol Exp Ther 285: 170-7 (1998) BindingDB Entry DOI: 10.7270/Q27H1H4B
University of Bonn Curated by PDSP K_i Database					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	64.6	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Compound was evaluated in vitro inhibitory activity against histamine H2 receptor in isolated Guinea pig right atria.				J Med Chem 35: 2446-51 (1992) BindingDB Entry DOI: 10.7270/Q2V9898T
Kyorin Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Histamine H2 receptor antagonistic activity on the isolated spontaneously beating guinea pig right atrium				Bioorg Med Chem Lett 13: 1717-20 (2003) BindingDB Entry DOI: 10.7270/Q2XW4M0X
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug and toxin extrusion protein 1 (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay				J Med Chem 56: 781-95 (2013) Article DOI: 10.1021/jm301302s BindingDB Entry DOI: 10.7270/Q2F76DWZ
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 3A4				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of human Acetylcholinesterase				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 1/beta chain (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Ortho Pharmaceutical Corporation Curated by ChEMBL					Assay Description Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine				J Med Chem 31: 1778-85 (1988) BindingDB Entry DOI: 10.7270/Q20P10MZ
Ortho Pharmaceutical Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company Curated by ChEMBL					Assay Description Compound was tested for H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium				J Med Chem 37: 57-66 (1994) BindingDB Entry DOI: 10.7270/Q2FN16TT
Fujisawa Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22893 (CHEMBL512 \| Ranitidine \| ZANTAC \| dimethyl[(5-{[(2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of guinea pig acetylcholinesterase				J Med Chem 36: 572-9 (1993) BindingDB Entry DOI: 10.7270/Q2930TSP
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair