BDBM50260282 CHEMBL4082245

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN

InChI Key: InChIKey=DSUVZVBZNSPSQB-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50260282   

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))	BDBM50260282 (CHEMBL4082245) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN Show InChI InChI=1S/C25H35ClN2O3S2/c1-30-24-19-20(3-8-23(24)31-16-2-17-32-33-18-12-27)9-13-28-14-10-25(29,11-15-28)21-4-6-22(26)7-5-21/h3-8,19,29H,2,9-18,27H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	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 D3 receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260282 (CHEMBL4082245) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN Show InChI InChI=1S/C25H35ClN2O3S2/c1-30-24-19-20(3-8-23(24)31-16-2-17-32-33-18-12-27)9-13-28-14-10-25(29,11-15-28)21-4-6-22(26)7-5-21/h3-8,19,29H,2,9-18,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	940	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 D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50260282 (CHEMBL4082245) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COc1cc(CCN2CCC(O)(CC2)c2ccc(Cl)cc2)ccc1OCCCSSCCN Show InChI InChI=1S/C25H35ClN2O3S2/c1-30-24-19-20(3-8-23(24)31-16-2-17-32-33-18-12-27)9-13-28-14-10-25(29,11-15-28)21-4-6-22(26)7-5-21/h3-8,19,29H,2,9-18,27H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 D2long receptor expressed in CHO cell membranes by radioligand binding assay				Bioorg Med Chem 25: 5084-5094 (2017) Article DOI: 10.1016/j.bmc.2017.06.034 BindingDB Entry DOI: 10.7270/Q2222X70
					More data for this Ligand-Target Pair