BDBM50533790 CHEMBL4538230

SMILES: CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1

InChI Key: InChIKey=TXJZKUBFJGPDAH-FQEVSTJZSA-N

Data: 2 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 4 hits for monomerid = 50533790   

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 (Rattus norvegicus (Rat))	BDBM50533790 (CHEMBL4538230) Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H33NO3/c1-2-14-25(20-11-12-21-19(17-20)8-6-9-22(21)26)15-5-3-4-7-18-10-13-23(27)24(28)16-18/h6,8-10,13,16,20,26-28H,2-5,7,11-12,14-15,17H2,1H3/t20-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.493	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D3 dopamine receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem 24: 5088-5102 (2016) Article DOI: 10.1016/j.bmc.2016.08.021
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50533790 (CHEMBL4538230) Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H33NO3/c1-2-14-25(20-11-12-21-19(17-20)8-6-9-22(21)26)15-5-3-4-7-18-10-13-23(27)24(28)16-18/h6,8-10,13,16,20,26-28H,2-5,7,11-12,14-15,17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat D2L dopamine receptor expressed in HEK293 cell membranes after 1 hr				Bioorg Med Chem 24: 5088-5102 (2016) Article DOI: 10.1016/j.bmc.2016.08.021
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50533790 (CHEMBL4538230) Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H33NO3/c1-2-14-25(20-11-12-21-19(17-20)8-6-9-22(21)26)15-5-3-4-7-18-10-13-23(27)24(28)16-18/h6,8-10,13,16,20,26-28H,2-5,7,11-12,14-15,17H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human D3 dopamine receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 24: 5088-5102 (2016) Article DOI: 10.1016/j.bmc.2016.08.021
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50533790 (CHEMBL4538230) Show SMILES CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2c(O)cccc2C1 |r| Show InChI InChI=1S/C24H33NO3/c1-2-14-25(20-11-12-21-19(17-20)8-6-9-22(21)26)15-5-3-4-7-18-10-13-23(27)24(28)16-18/h6,8-10,13,16,20,26-28H,2-5,7,11-12,14-15,17H2,1H3/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Agonist activity at human D2 dopamine receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem 24: 5088-5102 (2016) Article DOI: 10.1016/j.bmc.2016.08.021
					More data for this Ligand-Target Pair