BDBM84458 Isoindoline, 25

SMILES: OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=JOEBPYFHQSFJJM-YPJRHXLCSA-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 = 84458   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM84458 (Isoindoline, 25) Show SMILES OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 |r| Show InChI InChI=1S/C24H30FN3O3/c1-15-19-4-2-3-5-20(19)24(30)28(15)13-18(14-29)27-10-8-16(9-11-27)23-21-7-6-17(25)12-22(21)31-26-23/h6-7,12,16,18-20,29H,1-5,8-11,13-14H2/t18?,19-,20-/m0/s1	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
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM84458 (Isoindoline, 25) Show SMILES OCC(CN1C(=C)[C@@H]2CCCC[C@@H]2C1=O)N1CCC(CC1)c1noc2cc(F)ccc12 |r| Show InChI InChI=1S/C24H30FN3O3/c1-15-19-4-2-3-5-20(19)24(30)28(15)13-18(14-29)27-10-8-16(9-11-27)23-21-7-6-17(25)12-22(21)31-26-23/h6-7,12,16,18-20,29H,1-5,8-11,13-14H2/t18?,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
Aventis Pharmaceuticals					Assay Description Dopamine D4.2 and D2S receptor binding was performed at NPS Allexlix Corp.				Chembiochem 3: 999-1009 (2002) Article DOI: 10.1002/1439-7633(20021004)3:10 BindingDB Entry DOI: 10.7270/Q27D2SP5
					More data for this Ligand-Target Pair