Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50048640   

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
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells				J Med Chem 25: 680-4 (1982) BindingDB Entry DOI: 10.7270/Q24X59ZB
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50224296 (CHEMBL161974) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1F Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-9(15)7-3-4-8(14)11(16)10(7)12/h3-4,6,9,13-16H,5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells				J Med Chem 25: 680-4 (1982) BindingDB Entry DOI: 10.7270/Q24X59ZB
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50224298 (CHEMBL159016) Show SMILES CC(C)NCC(O)c1cc(O)c(O)cc1F Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-11(16)7-3-9(14)10(15)4-8(7)12/h3-4,6,11,13-16H,5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells				J Med Chem 25: 680-4 (1982) BindingDB Entry DOI: 10.7270/Q24X59ZB
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50224297 (CHEMBL158865) Show SMILES CC(C)NCC(O)c1cc(O)c(O)c(F)c1 Show InChI InChI=1S/C11H16FNO3/c1-6(2)13-5-10(15)7-3-8(12)11(16)9(14)4-7/h3-4,6,10,13-16H,5H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells				J Med Chem 25: 680-4 (1982) BindingDB Entry DOI: 10.7270/Q24X59ZB
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM25392 (4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...) Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells				J Med Chem 25: 680-4 (1982) BindingDB Entry DOI: 10.7270/Q24X59ZB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50067212 (CHEBI:8093 | Cyclomydril | Duo-Medihaler | Phenyle...) Show SMILES CNC[C@H](O)c1cccc(O)c1 |r| Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of H-Ras-mediated farnesylation expressed in mouse NIH3T3 cells				J Med Chem 25: 680-4 (1982) BindingDB Entry DOI: 10.7270/Q24X59ZB
					More data for this Ligand-Target Pair