BDBM50236961 CHEMBL4063235

SMILES: COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1

InChI Key: InChIKey=JMDXHUNKNDOMJU-UHFFFAOYSA-N

Data: 6 KI  5 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 11 hits for monomerid = 50236961   

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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	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 D2L 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(4) dopamine receptor (Homo sapiens (Human))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 Displacement of [3H]spiperone from human Dopamine D4 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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	250	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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 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))	BDBM50236961 (CHEMBL4063235) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C#N)c3c2)CC1 Show InChI InChI=1S/C23H27N5O2/c1-29-23-7-3-2-6-21(23)27-13-11-26(12-14-27)9-4-5-15-30-20-8-10-28-22(16-20)19(17-24)18-25-28/h2-3,6-8,10,16,18H,4-5,9,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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 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