Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50041540   

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)	BDBM50411865 (CHEMBL261832) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN(Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC1 |c:9| Show InChI InChI=1S/C56H84N4O5/c1-39-21-26-56(28-27-54(7)46(50(56)40(39)2)19-20-48-53(6)24-23-49(65-41(3)61)52(4,5)47(53)22-25-55(48,54)8)51(64)57-29-9-30-58-33-35-59(36-34-58)31-10-32-60(37-42-11-15-44(62)16-12-42)38-43-13-17-45(63)18-14-43/h11-19,39-40,47-50,62-63H,9-10,20-38H2,1-8H3,(H,57,64)/t39-,40+,47+,48-,49+,50+,53+,54-,55-,56+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.25E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
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	Article PubMed	n/a	n/a	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50225900 (CHEMBL270215 | N-{3-[4-(3-aminopropyl)piperazinyl]...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN)CC1 |r,c:9| Show InChI InChI=1S/C42H72N4O3/c1-29-13-18-42(37(48)44-22-10-24-46-27-25-45(26-28-46)23-9-21-43)20-19-40(7)32(36(42)30(29)2)11-12-34-39(6)16-15-35(49-31(3)47)38(4,5)33(39)14-17-41(34,40)8/h11,29-30,33-36H,9-10,12-28,43H2,1-8H3,(H,44,48)/t29-,30+,33+,34-,35+,36+,39+,40-,41-,42+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair
Histidine-rich protein PFHRP-II (Plasmodium falciparum)	BDBM50411864 (CHEMBL436662) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(=O)NCCCN1CCN(CCCN(Cc2ccc(cc2)[N+]([O-])=O)Cc2ccc(cc2)[N+]([O-])=O)CC1 |c:9| Show InChI InChI=1S/C56H82N6O7/c1-39-21-26-56(28-27-54(7)46(50(56)40(39)2)19-20-48-53(6)24-23-49(69-41(3)63)52(4,5)47(53)22-25-55(48,54)8)51(64)57-29-9-30-58-33-35-59(36-34-58)31-10-32-60(37-42-11-15-44(16-12-42)61(65)66)38-43-13-17-45(18-14-43)62(67)68/h11-19,39-40,47-50H,9-10,20-38H2,1-8H3,(H,57,64)/t39-,40+,47+,48-,49+,50+,53+,54-,55-,56+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul (UFRGS) Curated by ChEMBL					Assay Description Inhibition of beta-hematin formation				Bioorg Med Chem 16: 771-82 (2008) Article DOI: 10.1016/j.bmc.2007.10.031 BindingDB Entry DOI: 10.7270/Q23N24MK
					More data for this Ligand-Target Pair