BDBM50533791 CHEMBL4466245

SMILES: CCCN(CCCCCc1cc(O)ccc1O)[C@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=KSDFLICEBJWAMA-INIZCTEOSA-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 = 50533791   

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))	BDBM50533791 (CHEMBL4466245) Show SMILES CCCN(CCCCCc1cc(O)ccc1O)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-7-9-18-20(14-16)27-21(22)23-18)12-5-3-4-6-15-13-17(25)8-10-19(15)26/h8,10,13,16,25-26H,2-7,9,11-12,14H2,1H3,(H2,22,23)/t16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.780	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))	BDBM50533791 (CHEMBL4466245) Show SMILES CCCN(CCCCCc1cc(O)ccc1O)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-7-9-18-20(14-16)27-21(22)23-18)12-5-3-4-6-15-13-17(25)8-10-19(15)26/h8,10,13,16,25-26H,2-7,9,11-12,14H2,1H3,(H2,22,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	112	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50533791 (CHEMBL4466245) Show SMILES CCCN(CCCCCc1cc(O)ccc1O)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-7-9-18-20(14-16)27-21(22)23-18)12-5-3-4-6-15-13-17(25)8-10-19(15)26/h8,10,13,16,25-26H,2-7,9,11-12,14H2,1H3,(H2,22,23)/t16-/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	9.30	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50533791 (CHEMBL4466245) Show SMILES CCCN(CCCCCc1cc(O)ccc1O)[C@H]1CCc2nc(N)sc2C1 |r| Show InChI InChI=1S/C21H31N3O2S/c1-2-11-24(16-7-9-18-20(14-16)27-21(22)23-18)12-5-3-4-6-15-13-17(25)8-10-19(15)26/h8,10,13,16,25-26H,2-7,9,11-12,14H2,1H3,(H2,22,23)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20	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