BDBM50236958 CHEMBL4105030

SMILES: COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1

InChI Key: InChIKey=WUKHFCSRRUQMMT-HKOYGPOVSA-N

Data: 6 KI  6 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 12 hits for monomerid = 50236958   

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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90	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 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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG 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
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(2) dopamine receptor (Homo sapiens (Human))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.30	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 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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.80	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 Concentration required for the inhibitory activity against human Farnesyltransferase				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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	94	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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	440	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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	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	1.10E+3	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg Curated by ChEMBL					Assay Description Competitive kinetic for human alpha thrombin inhibition Ki was determined				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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	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	1.07E+3	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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	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	400	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(3) dopamine receptor (Homo sapiens (Human))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	69	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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	70	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))	BDBM50236958 (CHEMBL4105030) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccn3nc(\C=N\O)cc3c2)CC1 Show InChI InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)9-4-5-15-31-21-8-10-28-20(17-21)16-19(25-28)18-24-29/h2-3,6-8,10,16-18,29H,4-5,9,11-15H2,1H3/b24-18+	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	398	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