Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'pradines' and Initial = 'b'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225295 ((E)-4-(2-(7-chloroquinolin-4-ylamino)ethyl)-1-(4-(...) Show SMILES CC(CC(=O)c1ccc(Cl)c(Cl)c1)=NNC(=S)NCCNc1ccnc2cc(Cl)ccc12 |w:13.14| Show InChI InChI=1S/C22H20Cl3N5OS/c1-13(10-21(31)14-2-5-17(24)18(25)11-14)29-30-22(32)28-9-8-27-19-6-7-26-20-12-15(23)3-4-16(19)20/h2-7,11-12H,8-10H2,1H3,(H,26,27)(H2,28,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602550 (CHEMBL5177406) Show SMILES CCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602553 (CHEMBL5204309) Show SMILES CCCCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602551 (CHEMBL5181317) Show SMILES CCCCCNC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225297 ((E)-1-(4-(4-bromophenyl)-4-oxobutan-2-ylidene)-4-(...) Show SMILES CC(CC(=O)c1ccc(Br)cc1)=NNC(=S)NCCNc1ccnc2cc(Cl)ccc12 |w:12.13| Show InChI InChI=1S/C22H21BrClN5OS/c1-14(12-21(30)15-2-4-16(23)5-3-15)28-29-22(31)27-11-10-26-19-8-9-25-20-13-17(24)6-7-18(19)20/h2-9,13H,10-12H2,1H3,(H,25,26)(H2,27,29,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602549 (CHEMBL5183354) Show SMILES COC[C@H](Cc1ccccc1)NC[C@@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225296 ((E)-1-(4-(4-bromophenyl)-4-oxobutan-2-ylidene)-4-(...) Show SMILES CC(CC(=O)c1ccc(Br)cc1)=NNC(=S)NCCCNc1ccnc2cc(Cl)ccc12 |w:12.13| Show InChI InChI=1S/C23H23BrClN5OS/c1-15(13-22(31)16-3-5-17(24)6-4-16)29-30-23(32)28-11-2-10-26-20-9-12-27-21-14-18(25)7-8-19(20)21/h3-9,12,14H,2,10-11,13H2,1H3,(H,26,27)(H2,28,30,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50225298 ((E)-4-(3-(7-chloroquinolin-4-ylamino)propyl)-1-(4-...) Show SMILES CC(CC(=O)c1ccc(Cl)c(Cl)c1)=NNC(=S)NCCCNc1ccnc2cc(Cl)ccc12 |w:13.14| Show InChI InChI=1S/C23H22Cl3N5OS/c1-14(11-22(32)15-3-6-18(25)19(26)12-15)30-31-23(33)29-9-2-8-27-20-7-10-28-21-13-16(24)4-5-17(20)21/h3-7,10,12-13H,2,8-9,11H2,1H3,(H,27,28)(H2,29,31,33)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université des Sciences et Technologies Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum W2 recombinant falcipain-2 activity				Bioorg Med Chem Lett 17: 6434-8 (2007) Article DOI: 10.1016/j.bmcl.2007.10.003 BindingDB Entry DOI: 10.7270/Q2959H8B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50602552 (CHEMBL5191501) Show SMILES CCCCCCCNC[C@H](O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50151865 (CHEMBL172 | MEFLOQUINE) Show SMILES O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377446 ((S,R)-MEFLOQUINE) Show SMILES O[C@@H]([C@@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113981 BindingDB Entry DOI: 10.7270/Q2668J7B
					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	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Unit£ de Catalyse et Chimie du Solide - UMR CNRS 8181 Curated by ChEMBL					Assay Description Inhibition of lipid-induced beta-hematin formation				J Med Chem 49: 4707-14 (2006) Article DOI: 10.1021/jm060259d BindingDB Entry DOI: 10.7270/Q2PN96T1
					More data for this Ligand-Target Pair