BDBM50167064 CHEMBL3797876

SMILES: COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1

InChI Key: InChIKey=AFWAVLNIGSUCHI-HNNXBMFYSA-N

Data: 9 KI  11 EC50

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 20 hits for monomerid = 50167064   

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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in CHO cells after 60 mins by radioligand competition binding assay				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Mus musculus)	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assa...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK293 cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	269	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at human beta2 receptor expressed in HEK293 cells cotransfected with Gqs5 protein assessed as [3H]IP3 accumulation after 120 mins by...				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at human D2S receptor expressed in HEK293 cells cotransfected with Gqi5 protein assessed as [3H]IP3 accumulation after 120 mins by s...				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at PK-tagged beta2 receptor (unknown origin) transfected in HEK293 cells after 90 mins by beta-arrestin assay				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair