BDBM50421506 CHEMBL61861::ORG-24598

SMILES: CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O

InChI Key: InChIKey=KZWQAWBTWNPFPW-QGZVFWFLSA-M

Data: 12 KI  1 IC50

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 13 hits for monomerid = 50421506   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards serotonin 5-hydroxytryptamine 2A receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards Alpha-2C adrenergic receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards Beta-1 adrenergic receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description The compound was tested for the binding affinity towards Alpha-1B adrenergic receptor				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards Beta-2 adrenergic receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards Dopamine receptor D4 was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Rattus norvegicus (rat))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards serotonin 5-hydroxytryptamine 7 receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards Dopamine receptor D2S was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards serotonin 5-hydroxytryptamine 2C receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards Binding affinity towards Alpha-1A adrenergic receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards 5-hydroxytryptamine 1A receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (RAT)	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Binding affinity of compound towards serotonin 5-hydroxytryptamine 6 receptor was determined				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair
Glycine transporter 1 (Homo sapiens (Human))	BDBM50421506 (CHEMBL61861 | ORG-24598) Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC([O-])=O Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/p-1/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Organon Research and Development Group Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake using CHO cells transfected with GlyT-1b transporter				Bioorg Med Chem Lett 11: 2007-9 (2001) BindingDB Entry DOI: 10.7270/Q2X0687Q
					More data for this Ligand-Target Pair