BDBM50412784 CHEMBL493285

SMILES: C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZCYQPTKLMLTYQD-XMMPIXPASA-N

Data: 9 KI

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 9 hits for monomerid = 50412784   

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 1A (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.589	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in human HeLa cells				J Med Chem 51: 6359-70 (2008) Article DOI: 10.1021/jm800461k BindingDB Entry DOI: 10.7270/Q2S183R7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cell membranes after 30 mins				J Med Chem 56: 584-8 (2013) Article DOI: 10.1021/jm301525w BindingDB Entry DOI: 10.7270/Q2474CDQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...				Eur J Med Chem 125: 233-244 (2017) Article DOI: 10.1016/j.ejmech.2016.09.026 BindingDB Entry DOI: 10.7270/Q21C20BZ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins				J Med Chem 56: 584-8 (2013) Article DOI: 10.1021/jm301525w BindingDB Entry DOI: 10.7270/Q2474CDQ
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cells				J Med Chem 51: 6359-70 (2008) Article DOI: 10.1021/jm800461k BindingDB Entry DOI: 10.7270/Q2S183R7
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins				J Med Chem 56: 584-8 (2013) Article DOI: 10.1021/jm301525w BindingDB Entry DOI: 10.7270/Q2474CDQ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned Alpha-1B adrenoreceptor expressed in CHO cells				J Med Chem 51: 6359-70 (2008) Article DOI: 10.1021/jm800461k BindingDB Entry DOI: 10.7270/Q2S183R7
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins				J Med Chem 56: 584-8 (2013) Article DOI: 10.1021/jm301525w BindingDB Entry DOI: 10.7270/Q2474CDQ
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50412784 (CHEMBL493285) Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cells				J Med Chem 51: 6359-70 (2008) Article DOI: 10.1021/jm800461k BindingDB Entry DOI: 10.7270/Q2S183R7
					More data for this Ligand-Target Pair