BDBM50218411 CHEMBL82864

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cc2ccccc2[nH]1

InChI Key: InChIKey=MBVUGYVCCHAKHM-WBANQOEISA-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 = 50218411   

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))	BDBM50218411 (CHEMBL82864) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cc2ccccc2[nH]1 |wU:3.2,wD:6.6,(23.53,-14.18,;23.3,-12.66,;21.86,-12.1,;20.65,-13.05,;20.89,-14.57,;19.7,-15.53,;18.26,-14.97,;17.05,-15.95,;17.29,-17.47,;16.09,-18.45,;14.64,-17.89,;13.31,-18.67,;13.09,-20.2,;11.61,-20.55,;11.16,-22.03,;12.19,-23.11,;13.69,-22.76,;14.13,-21.3,;15.67,-21.19,;16.55,-19.91,;11.72,-24.58,;11.25,-26.05,;18.01,-13.45,;19.23,-12.49,;24.5,-11.69,;25.98,-12.09,;26.83,-10.81,;28.36,-10.58,;28.93,-9.14,;27.96,-7.93,;26.43,-8.17,;25.87,-9.61,;24.43,-10.16,)| Show InChI InChI=1S/C28H32N4O/c29-19-21-5-8-22-12-15-32(16-13-23(22)17-21)14-11-20-6-9-25(10-7-20)30-28(33)27-18-24-3-1-2-4-26(24)31-27/h1-5,8,17-18,20,25,31H,6-7,9-16H2,(H,30,33)/t20-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells				Bioorg Med Chem Lett 10: 2553-5 (2000) BindingDB Entry DOI: 10.7270/Q24Q7X55
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50218411 (CHEMBL82864) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cc2ccccc2[nH]1 |wU:3.2,wD:6.6,(23.53,-14.18,;23.3,-12.66,;21.86,-12.1,;20.65,-13.05,;20.89,-14.57,;19.7,-15.53,;18.26,-14.97,;17.05,-15.95,;17.29,-17.47,;16.09,-18.45,;14.64,-17.89,;13.31,-18.67,;13.09,-20.2,;11.61,-20.55,;11.16,-22.03,;12.19,-23.11,;13.69,-22.76,;14.13,-21.3,;15.67,-21.19,;16.55,-19.91,;11.72,-24.58,;11.25,-26.05,;18.01,-13.45,;19.23,-12.49,;24.5,-11.69,;25.98,-12.09,;26.83,-10.81,;28.36,-10.58,;28.93,-9.14,;27.96,-7.93,;26.43,-8.17,;25.87,-9.61,;24.43,-10.16,)| Show InChI InChI=1S/C28H32N4O/c29-19-21-5-8-22-12-15-32(16-13-23(22)17-21)14-11-20-6-9-25(10-7-20)30-28(33)27-18-24-3-1-2-4-26(24)31-27/h1-5,8,17-18,20,25,31H,6-7,9-16H2,(H,30,33)/t20-,25-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2 by displacement of [125I]iodosulpiride expressed in CHO cells				Bioorg Med Chem Lett 10: 2553-5 (2000) BindingDB Entry DOI: 10.7270/Q24Q7X55
					More data for this Ligand-Target Pair