BDBM84450 Isoindoline, 17

SMILES: OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12

InChI Key: InChIKey=QRWILOLSJSALOC-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 = 84450   

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(4) dopamine receptor (Homo sapiens (Human))	BDBM84450 (Isoindoline, 17) Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19.1	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
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM84450 (Isoindoline, 17) Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharmaceuticals					Assay Description All rat alpha-1 adrenoceptor binding was performed by Hugo M. vargas, Karen M. Brooks and Lynn Laws-Ricker.				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(2) dopamine receptor (Homo sapiens (Human))	BDBM84450 (Isoindoline, 17) Show SMILES OCC(CN1Cc2ccc(cc2C1)C(F)(F)F)N1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C24H25F4N3O2/c25-19-3-4-21-22(10-19)33-29-23(21)15-5-7-31(8-6-15)20(14-32)13-30-11-16-1-2-18(24(26,27)28)9-17(16)12-30/h1-4,9-10,15,20,32H,5-8,11-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	501	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