BDBM50097669 CHEMBL3590081

SMILES: CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1

InChI Key: InChIKey=VLVNADWTXMPIOQ-CYYJNZCTSA-N

Data: 6 KI  2 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 8 hits for monomerid = 50097669   

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(3) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 long receptor expressed in CHO cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2 short receptor expressed in CHO cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human 5HT2A receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(1B) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Activation of wild type human dopamine D3 receptor expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation countin...				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50097669 (CHEMBL3590081) Show SMILES CCCN(CCCCNC(=O)\N=N\c1ccc(F)cc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C23H29FN4O/c1-2-14-28(22-16-18-7-3-4-8-19(18)17-22)15-6-5-13-25-23(29)27-26-21-11-9-20(24)10-12-21/h3-4,7-12,22H,2,5-6,13-17H2,1H3,(H,25,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	68	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Activation of human dopamine D3 receptor L89K mutant expressed in HEK293 cells co-expressing GaqG66Di5- incubated for 120 mins by scintillation count...				Bioorg Med Chem 23: 3938-47 (2015) Article DOI: 10.1016/j.bmc.2014.12.012 BindingDB Entry DOI: 10.7270/Q20K2BBV
					More data for this Ligand-Target Pair