BindingDB PrimarySearch

null

SMILES: COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O

InChI Key: InChIKey=HSUGRBWQSSZJOP-RTWAWAEBSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 50004704
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
Solute carrier family 22 member 1 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy				J Med Chem 51: 5932-42 (2008) Article DOI: 10.1021/jm8003152 BindingDB Entry DOI: 10.7270/Q23779MD
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
CASMedChem Laboratory Curated by ChEMBL					Assay Description Inhibition of human ERG in MCF7 cells				Eur J Med Chem 44: 1926-32 (2009) Article DOI: 10.1016/j.ejmech.2008.11.009 BindingDB Entry DOI: 10.7270/Q2TM7CCD
CASMedChem Laboratory Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Reverse proteomics research institute Curated by ChEMBL					Assay Description Inhibitory concentration against potassium channel HERG				Bioorg Med Chem Lett 15: 2886-90 (2005) Article DOI: 10.1016/j.bmcl.2005.03.080 BindingDB Entry DOI: 10.7270/Q29S1S7C
Reverse proteomics research institute Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique				Bioorg Med Chem 16: 6252-60 (2008) Article DOI: 10.1016/j.bmc.2008.04.028 BindingDB Entry DOI: 10.7270/Q25D8T25
Hoffmann-La Roche Curated by ChEMBL					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.51E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay				Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brain				Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
Dublin Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Kv1.1 (unknown origin)				J Med Chem 60: 2245-2256 (2017) Article DOI: 10.1021/acs.jmedchem.6b01262 BindingDB Entry DOI: 10.7270/Q29K4DHG
Dublin Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...				Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]nitrendipine from calcium channel receptors (CCRs)				Citation and Details Article DOI: 10.1016/S0960-894X(01)80337-1 BindingDB Entry DOI: 10.7270/Q2F47RV0
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
ChanTest Corporation Curated by ChEMBL					Assay Description Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits				Sci Rep 3: (2013) Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2
ChanTest Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Bologna Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel in Wistar rat tail artery smooth muscle cells assessed as blockade of barium-sensitive inward rectifying current...				J Med Chem 52: 2352-62 (2009) Article DOI: 10.1021/jm801351u BindingDB Entry DOI: 10.7270/Q2MP562C
Universita degli Studi di Bologna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cells				Eur J Pharm Sci 16: 159-65 (2002) Article DOI: 10.1016/s0928-0987(02)00082-9 BindingDB Entry DOI: 10.7270/Q25X2CTJ
Kyoto Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50004704 ((+)-cis-Diltiazem \| (2S,3S)-5-(2-(dimethylamino)et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay				Bioorg Med Chem 17: 2524-35 (2009) Article DOI: 10.1016/j.bmc.2009.01.072 BindingDB Entry DOI: 10.7270/Q2X63QS6
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair

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