BindingDB PrimarySearch

null

SMILES: C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21

InChI Key: InChIKey=CKLPLPZSUQEDRT-WPCRTTGESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 65 hits for monomerid = 50318666
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
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant norepinephrine transporter				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant opiate kappa receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant opiate mu receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant PDE4D				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant serotonin 5-HT1A receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant serotonin 5-HT2A receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant serotonin 5-HT2B receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant serotonin 5HT2C receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant serotonin 5HT3 receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant serotonin transporter				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Thromboxane A2 receptor (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant thromboxane A2 receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant vasopressin V1a receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Swiss Tropical and Public Health Institute Curated by ChEMBL					Assay Description Binding affinity to human recombinant vasopressin V2 receptor				Science 329: 1175-80 (2010) Article DOI: 10.1126/science.1193225 BindingDB Entry DOI: 10.7270/Q2SB45ZB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsome by LC-MS/MS analysis				J Med Chem 53: 5155-64 (2010) Article DOI: 10.1021/jm100410f BindingDB Entry DOI: 10.7270/Q2TM7C2C
Novartis Institute for Tropical Diseases Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50318666 ((1R,3S)-5',7-Dichloro-6-fluoro-3-methyl-2,3,4,9-te...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112955 BindingDB Entry DOI: 10.7270/Q2S75M9J
TBA					More data for this Ligand-Target Pair

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