Compile Data Set for Download or QSAR

Found 19 hits of kd data for polymerid = 671   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540109 (CHEMBL3344474) Show SMILES CCCC#CC1(OC(=O)Nc2ccc(Cl)cc12)C(F)(F)F Show InChI InChI=1S/C14H11ClF3NO2/c1-2-3-4-7-13(14(16,17)18)10-8-9(15)5-6-11(10)19-12(20)21-13/h5-6,8H,2-3H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540105 (CHEMBL4648558) Show SMILES Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1(O)CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO4/c15-7-5-8-10(9(20)6-7)19-11(21)23-13(8,14(16,17)18)4-3-12(22)1-2-12/h5-6,20,22H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540108 (CHEMBL4632958) Show SMILES FC(F)(F)C1(CC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 Show InChI InChI=1S/C15H11ClF3NO/c16-10-3-4-12-11(7-10)14(15(17,18)19,8-13(21)20-12)6-5-9-1-2-9/h3-4,7,9H,1-2,8H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540110 (CHEMBL4645070) Show SMILES Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540104 (CHEMBL4636944) Show SMILES FC(F)(F)C1(OC(=O)Cc2ccc(Cl)cc12)C#CC1CC1 Show InChI InChI=1S/C15H10ClF3O2/c16-11-4-3-10-7-13(20)21-14(12(10)8-11,15(17,18)19)6-5-9-1-2-9/h3-4,8-9H,1-2,7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50097575 (6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluor...) Show SMILES Oc1cc2NC(=O)OC(C#CC3CC3)(c2cc1Cl)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50097571 ((S)-6-Chloro-4-cyclopropylethynyl-8-hydroxy-4-trif...) Show SMILES Oc1cc(Cl)cc2c1NC(=O)O[C@]2(C#CC1CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate at 2...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540105 (CHEMBL4648558) Show SMILES Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1(O)CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO4/c15-7-5-8-10(9(20)6-7)19-11(21)23-13(8,14(16,17)18)4-3-12(22)1-2-12/h5-6,20,22H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate at 2...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540105 (CHEMBL4648558) Show SMILES Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1(O)CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO4/c15-7-5-8-10(9(20)6-7)19-11(21)23-13(8,14(16,17)18)4-3-12(22)1-2-12/h5-6,20,22H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540106 (CHEMBL3344478) Show SMILES FC(F)(F)[C@]1(OCNc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H11ClF3NO/c15-10-3-4-12-11(7-10)13(14(16,17)18,20-8-19-12)6-5-9-1-2-9/h3-4,7,9,19H,1-2,8H2/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50097575 (6-Chloro-4-cyclopropylethynyl-7-hydroxy-4-trifluor...) Show SMILES Oc1cc2NC(=O)OC(C#CC3CC3)(c2cc1Cl)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-9-5-8-10(6-11(9)20)19-12(21)22-13(8,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50097571 ((S)-6-Chloro-4-cyclopropylethynyl-8-hydroxy-4-trif...) Show SMILES Oc1cc(Cl)cc2c1NC(=O)O[C@]2(C#CC1CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540108 (CHEMBL4632958) Show SMILES FC(F)(F)C1(CC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 Show InChI InChI=1S/C15H11ClF3NO/c16-10-3-4-12-11(7-10)14(15(17,18)19,8-13(21)20-12)6-5-9-1-2-9/h3-4,7,9H,1-2,8H2,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540110 (CHEMBL4645070) Show SMILES Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1CC1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.59E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540109 (CHEMBL3344474) Show SMILES CCCC#CC1(OC(=O)Nc2ccc(Cl)cc12)C(F)(F)F Show InChI InChI=1S/C14H11ClF3NO2/c1-2-3-4-7-13(14(16,17)18)10-8-9(15)5-6-11(10)19-12(20)21-13/h5-6,8H,2-3H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in presence of substrate by ...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair
Cholesterol 24-hydroxylase (Homo sapiens (Human))	BDBM50540107 (CHEMBL4639106) Show SMILES CC1Nc2ccc(Cl)cc2C(O1)(C#CC1CC1)C(F)(F)F Show InChI InChI=1S/C15H13ClF3NO/c1-9-20-13-5-4-11(16)8-12(13)14(21-9,15(17,18)19)7-6-10-2-3-10/h4-5,8-10,20H,2-3H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a
Case Western Reserve University Curated by ChEMBL					Assay Description Binding affinity to recombinant human C-terminal 4His-tagged CYP46A1 delta(2 to 50) mutant expressed in Escherichia coli in absence of substrate by U...				J Med Chem 63: 6477-6488 (2020) Article DOI: 10.1021/acs.jmedchem.9b01383 BindingDB Entry DOI: 10.7270/Q2V40ZR6
					More data for this Ligand-Target Pair