Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50010455   

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 (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability of the compound to displace [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor was determined				Bioorg Med Chem Lett 10: 2693-6 (2000) BindingDB Entry DOI: 10.7270/Q2C24VPJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50095028 (2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...) Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability of the compound to displace [H]-ketanserin from CHO cells expressing human 5-hydroxytryptamine 2A receptor was determined				Bioorg Med Chem Lett 10: 2693-6 (2000) BindingDB Entry DOI: 10.7270/Q2C24VPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50095028 (2-Phenyl-3-(2-piperidin-1-yl-ethyl)-1H-indole | CH...) Show SMILES C(Cc1c([nH]c2ccccc12)-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H24N2/c1-3-9-17(10-4-1)21-19(13-16-23-14-7-2-8-15-23)18-11-5-6-12-20(18)22-21/h1,3-6,9-12,22H,2,7-8,13-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-spiperone from CHO cells expressing human Dopamine receptor D2 was determined				Bioorg Med Chem Lett 10: 2693-6 (2000) BindingDB Entry DOI: 10.7270/Q2C24VPJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50095027 ((2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-eth...) Show SMILES COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC |r| Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Ability of the compound to displace [3H]-spiperone from CHO cells expressing human Dopamine receptor D2 was determined				Bioorg Med Chem Lett 10: 2693-6 (2000) BindingDB Entry DOI: 10.7270/Q2C24VPJ
					More data for this Ligand-Target Pair