BindingDB PrimarySearch

BDBM50323402 4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)-1-(2-fluorophenyl)-5-methyl-1H-pyrazole::CHEMBL1209157

SMILES: COc1ccc(OC)c(c1)C1CCN(Cc2cnn(c2C)-c2ccccc2F)C1

InChI Key: InChIKey=QMCLIYXZDAYHLF-UHFFFAOYSA-N

Data: 8 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50323402
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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2B receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine D1 receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to beta-1 adrenergic receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to beta2 adrenergic receptor				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Smoothened transfected in HEK293 cells by transient transfection cell-based assay				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo) (Homo sapiens (Human))	BDBM50323402 (4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Smoothened transfected in HEK293 cells by binding assay				Bioorg Med Chem Lett 20: 4932-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.033 BindingDB Entry DOI: 10.7270/Q22V2G9F
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair