Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50037913   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50212728 ((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(hy...) Show SMILES CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C28H34N2O4/c1-28(2,30-18-26(33)23-11-12-25(32)24(15-23)19-31)16-22-10-6-9-21(13-22)14-27(34)29-17-20-7-4-3-5-8-20/h3-13,15,26,30-33H,14,16-19H2,1-2H3,(H,29,34)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP				Bioorg Med Chem Lett 17: 4012-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.081 BindingDB Entry DOI: 10.7270/Q2M909G9
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25771 (1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...) Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1 Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	0.0700	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP				Bioorg Med Chem Lett 17: 4012-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.081 BindingDB Entry DOI: 10.7270/Q2M909G9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50212729 (CHEMBL230487 | N-benzyl-2-(3-((R)-2-((R)-2-hydroxy...) Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1 Show InChI InChI=1S/C27H32N2O4/c1-19(28-17-26(32)23-10-11-25(31)24(15-23)18-30)12-21-8-5-9-22(13-21)14-27(33)29-16-20-6-3-2-4-7-20/h2-11,13,15,19,26,28,30-32H,12,14,16-18H2,1H3,(H,29,33)/t19-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0960	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP				Bioorg Med Chem Lett 17: 4012-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.081 BindingDB Entry DOI: 10.7270/Q2M909G9
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50212730 ((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(hy...) Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1cccc(CC(=O)NCc2ccccc2)c1 Show InChI InChI=1S/C26H30N2O4/c29-18-23-15-22(9-10-24(23)30)25(31)17-27-12-11-19-7-4-8-21(13-19)14-26(32)28-16-20-5-2-1-3-6-20/h1-10,13,15,25,27,29-31H,11-12,14,16-18H2,(H,28,32)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0960	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP				Bioorg Med Chem Lett 17: 4012-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.081 BindingDB Entry DOI: 10.7270/Q2M909G9
					More data for this Ligand-Target Pair