Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50041274   

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
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408763 (CHEMBL343728) Show SMILES CCN(CC)CCCC(C)Nc1c(C)cnc2cc(Cl)ccc12 Show InChI InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-15(4)22-19-14(3)13-21-18-12-16(20)9-10-17(18)19/h9-10,12-13,15H,5-8,11H2,1-4H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408762 (DESETHYLCHLOROQUINE | Desethyl chloroquine) Show SMILES CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM23300 (4-amino-7-chloroquinoline (ACQ)-based compound, 5 ...) Show SMILES Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408770 (CHEMBL143042 | TCMDC-124246) Show SMILES CCN(CC)CCCC(C)Nc1cc(C)nc2cc(Cl)ccc12 Show InChI InChI=1S/C19H28ClN3/c1-5-23(6-2)11-7-8-14(3)21-18-12-15(4)22-19-13-16(20)9-10-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408760 (CHEMBL139984) Show SMILES CCN(CC)CC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C16H22ClN3/c1-4-20(5-2)11-12(3)19-15-8-9-18-16-10-13(17)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408771 (CHEMBL344599) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Br)ccc12 Show InChI InChI=1S/C18H26BrN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408766 (CHEMBL342499) Show SMILES CCC(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C19H27ClN2/c1-4-15(5-2)8-6-7-14(3)22-18-11-12-21-19-13-16(20)9-10-17(18)19/h9-15H,4-8H2,1-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408768 (CHEMBL423184) Show SMILES CCN(CC)CCCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C19H28ClN3/c1-4-23(5-2)13-7-6-8-15(3)22-18-11-12-21-19-14-16(20)9-10-17(18)19/h9-12,14-15H,4-8,13H2,1-3H3,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408764 (CHEMBL143439) Show SMILES CCNc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H11ClN2/c1-2-13-10-5-6-14-11-7-8(12)3-4-9(10)11/h3-7H,2H2,1H3,(H,13,14)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408761 (CHEMBL143522) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C18H26N4O2/c1-4-21(5-2)12-6-7-14(3)20-17-10-11-19-18-13-15(22(23)24)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408767 (CHEMBL143177) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(N)ccc12 Show InChI InChI=1S/C18H28N4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408769 (CHEMBL142884) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2ccccc12 Show InChI InChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)20-18-12-13-19-17-11-7-6-10-16(17)18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50408765 (CHEMBL143331) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2ccc(Cl)cc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-18-10-11-20-17-9-8-15(19)13-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of hematin polymerization				J Med Chem 42: 4630-9 (1999) BindingDB Entry DOI: 10.7270/Q2DV1M34
					More data for this Ligand-Target Pair