BDBM50236965 CHEMBL4069145

SMILES: COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1

InChI Key: InChIKey=CAAIZYOGVIMUEU-KOEQRZSOSA-N

Data: 6 KI  10 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 16 hits for monomerid = 50236965   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine D2S receptor expressed in CHO cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human farnesyl transferase				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human Dopamine D1 receptor expressed in HEK293T cell membranes after 2 hrs by scintillation counting analysis				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	6.80	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai2 ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	0.440	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing Galphai2 incubated for 30 mins measured after 75 min...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	11	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai2 ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	2.90	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoA ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	4.30	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoB ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	2.90	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 min...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	13	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai3 ...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.320	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.324	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D3 receptor expressed in HEK293T cell membranes coexpressing GalphaoA incubated for 30 mins measured after 75 mins...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50236965 (CHEMBL4069145) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+	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	0.437	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human Dopamine D2S receptor expressed in HEK293T cell membranes coexpressing Galphai2 incubated for 30 mins measured after 75 min...				J Med Chem 60: 2908-2929 (2017) Article DOI: 10.1021/acs.jmedchem.6b01857 BindingDB Entry DOI: 10.7270/Q2CJ8GR7
					More data for this Ligand-Target Pair