Compile Data Set for Download or QSAR

Found 474 hits with Last Name = 'chibale' and Initial = 'k'   

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
Plasmepsin I (Plasmodium falciparum)	BDBM8005 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...) Show SMILES CC(=O)c1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(cc2)C(C)=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C46H48N2O10/c1-27(49)31-19-15-29(16-20-31)9-7-23-57-43(45(55)47-39-35-13-5-3-11-33(35)25-37(39)51)41(53)42(54)44(58-24-8-10-30-17-21-32(22-18-30)28(2)50)46(56)48-40-36-14-6-4-12-34(36)26-38(40)52/h3-22,37-44,51-54H,23-26H2,1-2H3,(H,47,55)(H,48,56)/b9-7+,10-8+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 1				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM8005 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...) Show SMILES CC(=O)c1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(cc2)C(C)=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C46H48N2O10/c1-27(49)31-19-15-29(16-20-31)9-7-23-57-43(45(55)47-39-35-13-5-3-11-33(35)25-37(39)51)41(53)42(54)44(58-24-8-10-30-17-21-32(22-18-30)28(2)50)46(56)48-40-36-14-6-4-12-34(36)26-38(40)52/h3-22,37-44,51-54H,23-26H2,1-2H3,(H,47,55)(H,48,56)/b9-7+,10-8+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189452 ((S)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50583450 (CHEMBL5077796) Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM50321310 (CHEMBL4175786 | US10688093, Compound 229_0226_0284...) Show SMILES CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1 Show InChI InChI=1S/C15H16N4O/c1-2-8-16-14-6-7-15-17-10-13(19(15)18-14)11-4-3-5-12(20)9-11/h3-7,9-10,20H,2,8H2,1H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scin...				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50017125 (1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017125 (1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of testis ACE C domain				Bioorg Med Chem Lett 16: 4616-9 (2006) Article DOI: 10.1016/j.bmcl.2006.06.004 BindingDB Entry DOI: 10.7270/Q2KP81SJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50583449 (CHEMBL5075705) Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50583450 (CHEMBL5077796) Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017125 (1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of somatic ACE N domain				Bioorg Med Chem Lett 16: 4616-9 (2006) Article DOI: 10.1016/j.bmcl.2006.06.004 BindingDB Entry DOI: 10.7270/Q2KP81SJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017125 (1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM8005 ((2R,3R,4R,5R)-2,5-bis({[(2E)-3-(4-acetylphenyl)pro...) Show SMILES CC(=O)c1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(cc2)C(C)=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r| Show InChI InChI=1S/C46H48N2O10/c1-27(49)31-19-15-29(16-20-31)9-7-23-57-43(45(55)47-39-35-13-5-3-11-33(35)25-37(39)51)41(53)42(54)44(58-24-8-10-30-17-21-32(22-18-30)28(2)50)46(56)48-40-36-14-6-4-12-34(36)26-38(40)52/h3-22,37-44,51-54H,23-26H2,1-2H3,(H,47,55)(H,48,56)/b9-7+,10-8+/t37-,38-,39+,40+,41-,42-,43-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM50321309 (CHEMBL4165173) Show SMILES Cc1ccc(cc1)C(=O)c1c(N)c(C(N)=O)c2ccccn12 Show InChI InChI=1S/C17H15N3O2/c1-10-5-7-11(8-6-10)16(21)15-14(18)13(17(19)22)12-4-2-3-9-20(12)15/h2-9H,18H2,1H3,(H2,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	262	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scin...				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50583451 (CHEMBL5075686) Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE C-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50583450 (CHEMBL5077796) Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hGH-8His-NEP expressed in CHO cells preincubated for 15 mins followed by MCA-RPPGFDAFK-(Dnp)-OH peptide substrate addition by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50189517 ((S)-2-((S)-5-benzamido-4-oxo-6-phenylhexanamido)-3...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C30H29N3O5/c34-27(25(17-20-9-3-1-4-10-20)33-29(36)21-11-5-2-6-12-21)15-16-28(35)32-26(30(37)38)18-22-19-31-24-14-8-7-13-23(22)24/h1-14,19,25-26,31H,15-18H2,(H,32,35)(H,33,36)(H,37,38)/t25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189452 ((S)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50027344 ((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50583451 (CHEMBL5075686) Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50583449 (CHEMBL5075705) Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ACE N-domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins followed by substrate...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189452 ((S)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of testis ACE C domain				Bioorg Med Chem Lett 16: 4616-9 (2006) Article DOI: 10.1016/j.bmcl.2006.06.004 BindingDB Entry DOI: 10.7270/Q2KP81SJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189520 ((S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C28H33N3O6/c1-28(2,3)37-27(36)31-22(15-18-9-5-4-6-10-18)24(32)13-14-25(33)30-23(26(34)35)16-19-17-29-21-12-8-7-11-20(19)21/h4-12,17,22-23,29H,13-16H2,1-3H3,(H,30,33)(H,31,36)(H,34,35)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50583449 (CHEMBL5075705) Show SMILES CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hGH-8His-NEP expressed in CHO cells preincubated for 15 mins followed by MCA-RPPGFDAFK-(Dnp)-OH peptide substrate addition by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50189519 ((S)-2-((S)-5-benzamido-4-oxo-6-phenylhexanamido)-3...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C28H28N2O5/c31-25(16-17-26(32)29-24(28(34)35)19-21-12-6-2-7-13-21)23(18-20-10-4-1-5-11-20)30-27(33)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)(H,34,35)/t23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189454 ((R)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...) Show SMILES NCCCC[C@H](N[C@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of testis ACE C domain				Bioorg Med Chem Lett 16: 4616-9 (2006) Article DOI: 10.1016/j.bmcl.2006.06.004 BindingDB Entry DOI: 10.7270/Q2KP81SJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189518 ((S)-1-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C22H30N2O6/c1-22(2,3)30-21(29)23-16(14-15-8-5-4-6-9-15)18(25)11-12-19(26)24-13-7-10-17(24)20(27)28/h4-6,8-9,16-17H,7,10-14H2,1-3H3,(H,23,29)(H,27,28)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189521 ((S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H32N2O6/c1-26(2,3)34-25(33)28-20(16-18-10-6-4-7-11-18)22(29)14-15-23(30)27-21(24(31)32)17-19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50027344 ((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50583451 (CHEMBL5075686) Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CN[C@@H](CCc1ccccc1)C(O)=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hGH-8His-NEP expressed in CHO cells preincubated for 15 mins followed by MCA-RPPGFDAFK-(Dnp)-OH peptide substrate addition by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189519 ((S)-2-((S)-5-benzamido-4-oxo-6-phenylhexanamido)-3...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C28H28N2O5/c31-25(16-17-26(32)29-24(28(34)35)19-21-12-6-2-7-13-21)23(18-20-10-4-1-5-11-20)30-27(33)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,32)(H,30,33)(H,34,35)/t23-,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50189518 ((S)-1-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C22H30N2O6/c1-22(2,3)30-21(29)23-16(14-15-8-5-4-6-9-15)18(25)11-12-19(26)24-13-7-10-17(24)20(27)28/h4-6,8-9,16-17H,7,10-14H2,1-3H3,(H,23,29)(H,27,28)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50189452 ((S)-2-((S)-6-amino-1-((S)-1-carboxy-2-(1H-indol-3-...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C27H34N4O5/c28-15-7-6-12-22(30-23(26(33)34)14-13-18-8-2-1-3-9-18)25(32)31-24(27(35)36)16-19-17-29-21-11-5-4-10-20(19)21/h1-5,8-11,17,22-24,29-30H,6-7,12-16,28H2,(H,31,32)(H,33,34)(H,35,36)/t22-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hGH-8His-NEP expressed in CHO cells preincubated for 15 mins followed by MCA-RPPGFDAFK-(Dnp)-OH peptide substrate addition by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01924 BindingDB Entry DOI: 10.7270/Q2FT8QZ6
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM79181 (10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...) Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged CDPK4 expressed in Escherichia coli BL21(DE3) using EGTA as substrate after 10 mins in presence of ATP				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50189517 ((S)-2-((S)-5-benzamido-4-oxo-6-phenylhexanamido)-3...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C30H29N3O5/c34-27(25(17-20-9-3-1-4-10-20)33-29(36)21-11-5-2-6-12-21)15-16-28(35)32-26(30(37)38)18-22-19-31-24-14-8-7-13-23(22)24/h1-14,19,25-26,31H,15-18H2,(H,32,35)(H,33,36)(H,37,38)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of recombinant ACE N domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50189521 ((S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H32N2O6/c1-26(2,3)34-25(33)28-20(16-18-10-6-4-7-11-18)22(29)14-15-23(30)27-21(24(31)32)17-19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50189520 ((S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylh...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C28H33N3O6/c1-28(2,3)37-27(36)31-22(15-18-9-5-4-6-10-18)24(32)13-14-25(33)30-23(26(34)35)16-19-17-29-21-12-8-7-11-20(19)21/h4-12,17,22-23,29H,13-16H2,1-3H3,(H,30,33)(H,31,36)(H,34,35)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.81E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of rabbit testis recombinant ACE C domain				Bioorg Med Chem Lett 16: 4612-5 (2006) Article DOI: 10.1016/j.bmcl.2006.06.003 BindingDB Entry DOI: 10.7270/Q2B56JC8
					More data for this Ligand-Target Pair
Plasmepsin V (Plasmodium falciparum (isolate 3D7))	BDBM50514481 (CHEMBL3782104) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)OCc1ccccc1)C(C)C)[C@@H](O)CC(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C34H51N7O7/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41)/t26-,27-,28-,30-/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 5				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50383381 (CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum CDPK4 using syntide-2 as substrate by luminescence assay				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG stably expressed in CHO-K1 cells at -90 mV holding potential by automated Q-patch clamp method				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00328 BindingDB Entry DOI: 10.7270/Q2639TJ1
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50514485 (CHEMBL4580614) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1ccc(OC)cc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C36H48N2O2/c1-5-6-7-8-29-9-15-33(16-10-29)36(39)38(34-22-25-37(26-23-34)24-21-28(2)3)27-30-11-13-31(14-12-30)32-17-19-35(40-4)20-18-32/h9-20,28,34H,5-8,21-27H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2 by FRET assay				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50377588 (CHEMBL257594) Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50514493 (CHEMBL4440178) Show SMILES COC(=O)CCCC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(Cc1ccccc1)C1CC1)c1ccc(CCCOc2cc(F)ccc2Br)cc1 |c:13,TLB:7:9:14.13.12:17,31:13:10.9.16:17,THB:18:14:10.9.16:17| Show InChI InChI=1S/C39H43BrFN3O5/c1-48-37(46)11-5-10-36(45)43-24-30-22-32(28-14-12-26(13-15-28)9-6-20-49-35-21-29(41)16-19-33(35)40)38(34(25-43)42-30)39(47)44(31-17-18-31)23-27-7-3-2-4-8-27/h2-4,7-8,12-16,19,21,30-31,34,42H,5-6,9-11,17-18,20,22-25H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 4 (Plasmodium falciparum (isolate 3D7))	BDBM50389704 (CHEMBL2070081 | US10544104, Compound 150 | US95180...) Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O/c1-3-31-20-7-6-17-12-19(5-4-18(17)13-20)22-21-23(25)26-15-27-24(21)30(28-22)14-16-8-10-29(2)11-9-16/h4-7,12-13,15-16H,3,8-11,14H2,1-2H3,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum CDPK4 using syntide-2 as substrate by luminescence assay				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50514491 (CHEMBL4556003) Show SMILES CCCCCc1ccc(cc1)S(=O)(=O)C1C(NCc2ccc3ccccc3c2)C2CC(CNC3CCCC3)C1N2 Show InChI InChI=1S/C34H45N3O2S/c1-2-3-4-9-24-15-18-30(19-16-24)40(38,39)34-32-28(23-35-29-12-7-8-13-29)21-31(37-32)33(34)36-22-25-14-17-26-10-5-6-11-27(26)20-25/h5-6,10-11,14-20,28-29,31-37H,2-4,7-9,12-13,21-23H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 4				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM36336 (CID24762166 | Purfalcamine, 1) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)| Show InChI InChI=1S/C29H33FN8O/c30-20-5-4-6-24(17-20)38-18-32-25-26(35-29(36-27(25)38)34-23-13-9-21(31)10-14-23)33-22-11-7-19(8-12-22)28(39)37-15-2-1-3-16-37/h4-8,11-12,17-18,21,23H,1-3,9-10,13-16,31H2,(H2,33,34,35,36)/t21-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant CDPK1 expressed in Escherichia coli expression system after 1 hr in presence of [gamma33P]ATP by scin...				J Med Chem 61: 8061-8077 (2018) Article DOI: 10.1021/acs.jmedchem.8b00329 BindingDB Entry DOI: 10.7270/Q24170NC
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50514482 (CHEMBL4458921) Show SMILES CCCCCc1ccc(cc1)C(=O)N(Cc1ccc(cc1)-c1cccnc1)C1CCN(CCC(C)C)CC1 Show InChI InChI=1S/C34H45N3O/c1-4-5-6-8-28-10-16-31(17-11-28)34(38)37(33-19-23-36(24-20-33)22-18-27(2)3)26-29-12-14-30(15-13-29)32-9-7-21-35-25-32/h7,9-17,21,25,27,33H,4-6,8,18-20,22-24,26H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Zambia Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum Plasmepsin 2				J Med Chem 63: 4445-4467 (2020) Article DOI: 10.1021/acs.jmedchem.9b01622 BindingDB Entry DOI: 10.7270/Q2RR22K7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 474 total )  |  Next  |  Last  >>

Jump to: