Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'bonaccini' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122842 (3-Pyridin-2-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,18H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122840 (3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...) Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122843 (6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...) Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122840 (3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...) Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122841 (3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1 Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122847 (3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	26.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122845 (3-(3-Methoxy-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1...) Show SMILES COc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H13N3O2S/c1-22-13-4-2-3-11(7-13)14-9-19-20-16(14)18-8-15(17(20)21)12-5-6-23-10-12/h2-10,19H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122848 (3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122843 (6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...) Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122840 (3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...) Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122848 (3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122841 (3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1 Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122841 (3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1 Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122843 (6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...) Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	207	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122847 (3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122841 (3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1 Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122840 (3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...) Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	291	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122847 (3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	315	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122843 (6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...) Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122845 (3-(3-Methoxy-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1...) Show SMILES COc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H13N3O2S/c1-22-13-4-2-3-11(7-13)14-9-19-20-16(14)18-8-15(17(20)21)12-5-6-23-10-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	737	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM50122842 (3-Pyridin-2-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122845 (3-(3-Methoxy-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1...) Show SMILES COc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O Show InChI InChI=1S/C17H13N3O2S/c1-22-13-4-2-3-11(7-13)14-9-19-20-16(14)18-8-15(17(20)21)12-5-6-23-10-12/h2-10,19H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	827	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat alpha2-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122842 (3-Pyridin-2-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccccn1)-c1ccsc1 Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,18H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50122848 (3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...) Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1 Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2 (Rattus norvegicus (Rat)-RAT)	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Firenze Curated by ChEMBL					Assay Description Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells				J Med Chem 46: 310-3 (2003) Article DOI: 10.1021/jm020999w BindingDB Entry DOI: 10.7270/Q2H70F59
					More data for this Ligand-Target Pair				3D Structure (crystal)
RmtA (Emericella nidulans)	BDBM50206441 (2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...) Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206441 (2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-6H-xanthen-9...) Show SMILES OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(32.53,-16.69,;33.02,-15.23,;32,-14.07,;34.53,-14.92,;34.52,-13.38,;35.85,-12.6,;37.19,-13.36,;37.2,-14.9,;35.87,-15.67,;35.87,-17.21,;37.21,-17.96,;38.54,-17.19,;39.88,-17.94,;41.21,-17.16,;39.89,-19.5,;41.23,-20.26,;38.56,-20.28,;38.57,-21.82,;37.22,-19.51,;35.88,-20.29,;34.55,-19.52,;33.22,-20.3,;33.22,-21.84,;31.88,-19.53,;30.55,-20.3,;31.88,-17.98,;30.56,-17.2,;33.22,-17.24,;34.55,-17.98,)| Show InChI InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206426 (4-amino-3,5-dibromo-2-(2,4,5,7-tetrabromo-6-hydrox...) Show SMILES Nc1c(Br)cc(C(O)=O)c(c1Br)-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(13.55,-25.84,;12.22,-26.62,;10.88,-25.85,;10.87,-24.31,;9.55,-26.64,;9.56,-28.18,;8.02,-28.16,;7.23,-29.48,;7.26,-26.82,;10.89,-28.92,;12.23,-28.16,;13.56,-28.92,;10.9,-30.46,;12.24,-31.22,;13.57,-30.44,;14.91,-31.2,;16.24,-30.42,;14.92,-32.76,;16.26,-33.52,;13.59,-33.54,;13.6,-35.08,;12.25,-32.77,;10.91,-33.55,;9.58,-32.78,;8.24,-33.56,;8.25,-35.1,;6.91,-32.79,;5.58,-33.56,;6.91,-31.24,;5.58,-30.47,;8.24,-30.47,;9.58,-31.24,)| Show InChI InChI=1S/C20H7Br6NO5/c21-7-3-6(20(30)31)11(12(24)15(7)27)10-4-1-8(22)16(28)13(25)18(4)32-19-5(10)2-9(23)17(29)14(19)26/h1-3,28H,27H2,(H,30,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206432 (4-(4,6-dichloro-1,3,5-triazin-2-ylamino)-2-(6-hydr...) Show SMILES OC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(23.23,-31.33,;23.79,-29.89,;22.82,-28.7,;25.31,-29.65,;25.3,-28.12,;26.63,-27.33,;27.97,-28.1,;29.3,-27.32,;29.29,-25.78,;27.95,-25.03,;27.94,-23.49,;26.6,-22.73,;29.28,-22.71,;30.61,-23.47,;31.94,-22.69,;30.62,-25.01,;27.98,-29.63,;26.64,-30.4,;26.65,-31.94,;27.99,-32.7,;29.32,-31.92,;30.66,-32.68,;30.67,-34.23,;32.01,-34.99,;29.34,-35.01,;28,-34.25,;26.66,-35.02,;25.33,-34.26,;23.99,-35.04,;22.66,-34.27,;21.33,-35.03,;22.66,-32.72,;23.99,-31.95,;25.33,-32.71,)| Show InChI InChI=1S/C23H12Cl2N4O5/c24-21-27-22(25)29-23(28-21)26-10-1-4-13(20(32)33)16(7-10)19-14-5-2-11(30)8-17(14)34-18-9-12(31)3-6-15(18)19/h1-9,30H,(H,32,33)(H,26,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206426 (4-amino-3,5-dibromo-2-(2,4,5,7-tetrabromo-6-hydrox...) Show SMILES Nc1c(Br)cc(C(O)=O)c(c1Br)-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12 |(13.55,-25.84,;12.22,-26.62,;10.88,-25.85,;10.87,-24.31,;9.55,-26.64,;9.56,-28.18,;8.02,-28.16,;7.23,-29.48,;7.26,-26.82,;10.89,-28.92,;12.23,-28.16,;13.56,-28.92,;10.9,-30.46,;12.24,-31.22,;13.57,-30.44,;14.91,-31.2,;16.24,-30.42,;14.92,-32.76,;16.26,-33.52,;13.59,-33.54,;13.6,-35.08,;12.25,-32.77,;10.91,-33.55,;9.58,-32.78,;8.24,-33.56,;8.25,-35.1,;6.91,-32.79,;5.58,-33.56,;6.91,-31.24,;5.58,-30.47,;8.24,-30.47,;9.58,-31.24,)| Show InChI InChI=1S/C20H7Br6NO5/c21-7-3-6(20(30)31)11(12(24)15(7)27)10-4-1-8(22)16(28)13(25)18(4)32-19-5(10)2-9(23)17(29)14(19)26/h1-3,28H,27H2,(H,30,31)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206440 (({3-[1-{3-[(bis-carboxymethyl-amino-methyl]-4-hydr...) Show SMILES CC(C)c1cc(C(c2ccccc2S(O)(=O)=O)=c2cc(C(C)C)c(O)c(CN(CC(O)=O)CC(O)=O)c2=C)c(C)c(CN(CC(O)=O)CC(O)=O)c1O |w:6.5| Show InChI InChI=1S/C37H44N2O13S/c1-19(2)24-11-26(21(5)28(36(24)48)13-38(15-31(40)41)16-32(42)43)35(23-9-7-8-10-30(23)53(50,51)52)27-12-25(20(3)4)37(49)29(22(27)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,5,13-18H2,1-4,6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,50,51,52)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206440 (({3-[1-{3-[(bis-carboxymethyl-amino-methyl]-4-hydr...) Show SMILES CC(C)c1cc(C(c2ccccc2S(O)(=O)=O)=c2cc(C(C)C)c(O)c(CN(CC(O)=O)CC(O)=O)c2=C)c(C)c(CN(CC(O)=O)CC(O)=O)c1O |w:6.5| Show InChI InChI=1S/C37H44N2O13S/c1-19(2)24-11-26(21(5)28(36(24)48)13-38(15-31(40)41)16-32(42)43)35(23-9-7-8-10-30(23)53(50,51)52)27-12-25(20(3)4)37(49)29(22(27)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,5,13-18H2,1-4,6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,50,51,52)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206432 (4-(4,6-dichloro-1,3,5-triazin-2-ylamino)-2-(6-hydr...) Show SMILES OC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(23.23,-31.33,;23.79,-29.89,;22.82,-28.7,;25.31,-29.65,;25.3,-28.12,;26.63,-27.33,;27.97,-28.1,;29.3,-27.32,;29.29,-25.78,;27.95,-25.03,;27.94,-23.49,;26.6,-22.73,;29.28,-22.71,;30.61,-23.47,;31.94,-22.69,;30.62,-25.01,;27.98,-29.63,;26.64,-30.4,;26.65,-31.94,;27.99,-32.7,;29.32,-31.92,;30.66,-32.68,;30.67,-34.23,;32.01,-34.99,;29.34,-35.01,;28,-34.25,;26.66,-35.02,;25.33,-34.26,;23.99,-35.04,;22.66,-34.27,;21.33,-35.03,;22.66,-32.72,;23.99,-31.95,;25.33,-32.71,)| Show InChI InChI=1S/C23H12Cl2N4O5/c24-21-27-22(25)29-23(28-21)26-10-1-4-13(20(32)33)16(7-10)19-14-5-2-11(30)8-17(14)34-18-9-12(31)3-6-15(18)19/h1-9,30H,(H,32,33)(H,26,27,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50143424 (2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...) Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)| Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206427 (7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...) Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206427 (7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...) Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206436 (3-hydroxy-4-(naphthalen-1-yldiazenyl)-7-nitronapht...) Show SMILES Oc1cc(c2cc(ccc2c1N=Nc1cccc2ccccc12)[N+]([O-])=O)S(O)(=O)=O |w:11.12| Show InChI InChI=1S/C20H13N3O6S/c24-18-11-19(30(27,28)29)16-10-13(23(25)26)8-9-15(16)20(18)22-21-17-7-3-5-12-4-1-2-6-14(12)17/h1-11,24H,(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206436 (3-hydroxy-4-(naphthalen-1-yldiazenyl)-7-nitronapht...) Show SMILES Oc1cc(c2cc(ccc2c1N=Nc1cccc2ccccc12)[N+]([O-])=O)S(O)(=O)=O |w:11.12| Show InChI InChI=1S/C20H13N3O6S/c24-18-11-19(30(27,28)29)16-10-13(23(25)26)8-9-15(16)20(18)22-21-17-7-3-5-12-4-1-2-6-14(12)17/h1-11,24H,(H,27,28,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50143424 (2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...) Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)| Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50206442 (2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...) Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair
RmtA (Emericella nidulans)	BDBM50206442 (2,6,7-trihydroxy-9-phenyl-3H-xanthen-3-one | CHEMB...) Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O Show InChI InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
					More data for this Ligand-Target Pair

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