Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50036336   

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
5-hydroxytryptamine receptor 2A (BOVINE)	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Limited Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity at 5- HT2 receptor				J Med Chem 38: 2326-30 (1995) BindingDB Entry DOI: 10.7270/Q2W959VM
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Limited Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity at Alpha adrenergic receptor				J Med Chem 38: 2326-30 (1995) BindingDB Entry DOI: 10.7270/Q2W959VM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50031474 ((2E)-2-[(5-hydroxy-1H-indol-3-yl)methylene]hydrazi...) Show SMILES NC(=N)NN=Cc1c[nH]c2ccc(O)cc12 |w:4.3| Show InChI InChI=1S/C10H11N5O/c11-10(12)15-14-5-6-4-13-9-2-1-7(16)3-8(6)9/h1-5,13,16H,(H4,11,12,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Limited Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity at 5- HT1A receptor				J Med Chem 38: 2326-30 (1995) BindingDB Entry DOI: 10.7270/Q2W959VM
					More data for this Ligand-Target Pair
D(2) dopamine receptor (BOVINE)	BDBM48320 (4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-metho...) Show SMILES CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Limited Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity at Dopamine receptor D2				J Med Chem 38: 2326-30 (1995) BindingDB Entry DOI: 10.7270/Q2W959VM
					More data for this Ligand-Target Pair