Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50023759   

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 2C (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250840 (5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...) Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250841 (CHEMBL463250 | N-3'-ethylaplysinopsin) Show SMILES CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C Show InChI InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250840 (5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...) Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cc(Br)ccc23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...) Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3| Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250841 (CHEMBL463250 | N-3'-ethylaplysinopsin) Show SMILES CC\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccccc23)N1C Show InChI InChI=1S/C16H18N4O/c1-4-17-16-19(2)14(15(21)20(16)3)9-11-10-18-13-8-6-5-7-12(11)13/h5-10,18H,4H2,1-3H3/b14-9+,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...) Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3| Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...) Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3| Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin | CHEMBL2058413...) Show SMILES CN1C(N)=NC(=Cc2c[nH]c3cc(Br)ccc23)C1=O |w:6.6,c:3| Show InChI InChI=1S/C13H11BrN4O/c1-18-12(19)11(17-13(18)15)4-7-6-16-10-5-8(14)2-3-9(7)10/h2-6,16H,1H3,(H2,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 by fluorescence polarization assay				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
					More data for this Ligand-Target Pair