BDBM50219203 CHEMBL161853

SMILES: COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(cc4C3)C#N)CC2)c1

InChI Key: InChIKey=OJCBIYVJAWOBLI-XBISEHGESA-N

Data: 2 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 2 hits for monomerid = 50219203   

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))	BDBM50219203 (CHEMBL161853) Show SMILES COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(cc4C3)C#N)CC2)c1 |wU:12.11,wD:15.15,(24.41,-10.58,;23.06,-11.34,;21.75,-10.55,;21.78,-9.01,;20.42,-8.24,;19.09,-9.01,;19.09,-10.55,;17.76,-11.32,;16.43,-10.55,;15.1,-11.32,;15.1,-12.86,;13.77,-10.55,;12.42,-11.32,;12.42,-12.86,;11.11,-13.61,;9.78,-12.86,;8.29,-13.26,;6.96,-12.49,;5.63,-13.28,;4.72,-12.02,;3.25,-12.51,;1.92,-11.74,;.59,-12.51,;.59,-14.05,;1.92,-14.85,;3.25,-14.05,;4.72,-14.52,;-.76,-14.82,;-2.09,-15.59,;9.78,-11.32,;11.11,-10.53,;20.42,-11.32,)| Show InChI InChI=1S/C27H31N3O2/c1-32-26-4-2-3-21(16-26)8-12-27(31)29-25-10-6-20(7-11-25)13-14-30-18-23-9-5-22(17-28)15-24(23)19-30/h2-5,8-9,12,15-16,20,25H,6-7,10-11,13-14,18-19H2,1H3,(H,29,31)/b12-8+/t20-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells				Bioorg Med Chem Lett 11: 685-8 (2001) BindingDB Entry DOI: 10.7270/Q2JS9SMH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50219203 (CHEMBL161853) Show SMILES COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3Cc4ccc(cc4C3)C#N)CC2)c1 |wU:12.11,wD:15.15,(24.41,-10.58,;23.06,-11.34,;21.75,-10.55,;21.78,-9.01,;20.42,-8.24,;19.09,-9.01,;19.09,-10.55,;17.76,-11.32,;16.43,-10.55,;15.1,-11.32,;15.1,-12.86,;13.77,-10.55,;12.42,-11.32,;12.42,-12.86,;11.11,-13.61,;9.78,-12.86,;8.29,-13.26,;6.96,-12.49,;5.63,-13.28,;4.72,-12.02,;3.25,-12.51,;1.92,-11.74,;.59,-12.51,;.59,-14.05,;1.92,-14.85,;3.25,-14.05,;4.72,-14.52,;-.76,-14.82,;-2.09,-15.59,;9.78,-11.32,;11.11,-10.53,;20.42,-11.32,)| Show InChI InChI=1S/C27H31N3O2/c1-32-26-4-2-3-21(16-26)8-12-27(31)29-25-10-6-20(7-11-25)13-14-30-18-23-9-5-22(17-28)15-24(23)19-30/h2-5,8-9,12,15-16,20,25H,6-7,10-11,13-14,18-19H2,1H3,(H,29,31)/b12-8+/t20-,25-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]iodosulpiride from human Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 11: 685-8 (2001) BindingDB Entry DOI: 10.7270/Q2JS9SMH
					More data for this Ligand-Target Pair