Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50013792   

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
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50409741 (CHEMBL2069130) Show SMILES CC(O)([C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C1CCCCN1 Show InChI InChI=1S/C26H45NO2/c1-24-13-11-18(28)16-17(24)7-8-19-20-9-10-22(25(20,2)14-12-21(19)24)26(3,29)23-6-4-5-15-27-23/h17-23,27-29H,4-16H2,1-3H3/t17?,18-,19-,20-,21-,22-,23?,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134737 ((3S,10S,13S,17S)-17-(1-Hydroxy-1-piperidin-3-yl-et...) Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C1CCCNC1 Show InChI InChI=1S/C26H45NO2/c1-24-12-10-19(28)15-17(24)6-7-20-21-8-9-23(25(21,2)13-11-22(20)24)26(3,29)18-5-4-14-27-16-18/h17-23,27-29H,4-16H2,1-3H3/t17?,18?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134726 (1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-silanyl...) Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)(O)C5CCCNC5)[C@@]4(C)CCC23)C1 Show InChI InChI=1S/C32H59NO2Si/c1-29(2,3)36(7,8)35-24-15-17-30(4)22(20-24)11-12-25-26-13-14-28(31(26,5)18-16-27(25)30)32(6,34)23-10-9-19-33-21-23/h22-28,33-34H,9-21H2,1-8H3/t22?,23?,24-,25?,26?,27?,28-,30-,31-,32?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50409742 (CHEMBL2069129) Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)(O)C5CCCCN5)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C32H59NO2Si/c1-29(2,3)36(7,8)35-23-16-18-30(4)22(21-23)12-13-24-25-14-15-27(31(25,5)19-17-26(24)30)32(6,34)28-11-9-10-20-33-28/h22-28,33-34H,9-21H2,1-8H3/t22?,23-,24-,25-,26-,27-,28?,30-,31-,32?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134736 (1-{2-[1-Hydroxy-1-((3S,10S,13S,17S)-3-hydroxy-10,1...) Show SMILES CCC(=O)N1CCCCC1C(C)(O)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C29H49NO3/c1-5-26(32)30-17-7-6-8-25(30)29(4,33)24-12-11-22-21-10-9-19-18-20(31)13-15-27(19,2)23(21)14-16-28(22,24)3/h19-25,31,33H,5-18H2,1-4H3/t19?,20-,21?,22?,23?,24-,25?,27-,28-,29?/m0/s1	KEGG UniProtKB/SwissProt 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
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134738 ((3S,10S,13S,17S)-17-(1-Hydroxy-1-pyridin-3-yl-ethy...) Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1cccnc1 Show InChI InChI=1S/C26H39NO2/c1-24-12-10-19(28)15-17(24)6-7-20-21-8-9-23(25(21,2)13-11-22(20)24)26(3,29)18-5-4-14-27-16-18/h4-5,14,16-17,19-23,28-29H,6-13,15H2,1-3H3/t17?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134731 (1-{3-[1-Hydroxy-1-((3S,10S,13S,17S)-3-hydroxy-10,1...) Show SMILES CCC(=O)N1CCCC(C1)C(C)(O)[C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C29H49NO3/c1-5-26(32)30-16-6-7-20(18-30)29(4,33)25-11-10-23-22-9-8-19-17-21(31)12-14-27(19,2)24(22)13-15-28(23,25)3/h19-25,31,33H,5-18H2,1-4H3/t19?,20?,21-,22?,23?,24?,25-,27-,28-,29?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134723 ((3S,10S,13S,17S)-17-(1-Hydroxy-1-pyridin-4-yl-ethy...) Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1ccncc1 Show InChI InChI=1S/C26H39NO2/c1-24-12-8-19(28)16-18(24)4-5-20-21-6-7-23(25(21,2)13-9-22(20)24)26(3,29)17-10-14-27-15-11-17/h10-11,14-15,18-23,28-29H,4-9,12-13,16H2,1-3H3/t18?,19-,20?,21?,22?,23-,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134733 (1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-silanyl...) Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)(O)c5ccncc5)[C@@]4(C)CCC23)C1 Show InChI InChI=1S/C32H53NO2Si/c1-29(2,3)36(7,8)35-24-13-17-30(4)23(21-24)9-10-25-26-11-12-28(31(26,5)18-14-27(25)30)32(6,34)22-15-19-33-20-16-22/h15-16,19-20,23-28,34H,9-14,17-18,21H2,1-8H3/t23?,24-,25?,26?,27?,28-,30-,31-,32?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134729 (1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-silanyl...) Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)(O)c5ccccn5)[C@@]4(C)CCC23)C1 Show InChI InChI=1S/C32H53NO2Si/c1-29(2,3)36(7,8)35-23-16-18-30(4)22(21-23)12-13-24-25-14-15-27(31(25,5)19-17-26(24)30)32(6,34)28-11-9-10-20-33-28/h9-11,20,22-27,34H,12-19,21H2,1-8H3/t22?,23-,24?,25?,26?,27-,30-,31-,32?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134734 (1-[(3S,10S,17S)-3-(tert-Butyl-dimethyl-silanyloxy)...) Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@@H](C4CCC23)C(C)(O)c2ccncc2Cl)C1 Show InChI InChI=1S/C31H50ClNO2Si/c1-29(2,3)36(6,7)35-21-14-16-30(4)20(18-21)8-9-23-22-10-13-26(24(22)11-12-25(23)30)31(5,34)27-15-17-33-19-28(27)32/h15,17,19-26,34H,8-14,16,18H2,1-7H3/t20?,21-,22?,23?,24?,25?,26-,30-,31?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134724 (1-(2-{1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-s...) Show SMILES CCC(=O)N1CCCCC1C(C)(O)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)O[Si](C)(C)C(C)(C)C Show InChI InChI=1S/C35H63NO3Si/c1-10-31(37)36-22-12-11-13-30(36)35(7,38)29-17-16-27-26-15-14-24-23-25(39-40(8,9)32(2,3)4)18-20-33(24,5)28(26)19-21-34(27,29)6/h24-30,38H,10-23H2,1-9H3/t24?,25-,26?,27?,28?,29-,30?,33-,34-,35?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134727 (1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-silanyl...) Show SMILES CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(CCC3C4CC[C@H](C(C)(O)c5cccnc5)[C@@]4(C)CCC23)C1 Show InChI InChI=1S/C32H53NO2Si/c1-29(2,3)36(7,8)35-24-15-17-30(4)22(20-24)11-12-25-26-13-14-28(31(26,5)18-16-27(25)30)32(6,34)23-10-9-19-33-21-23/h9-10,19,21-22,24-28,34H,11-18,20H2,1-8H3/t22?,24-,25?,26?,27?,28-,30-,31-,32?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134730 (1-(3-{1-[(3S,10S,13S,17S)-3-(tert-Butyl-dimethyl-s...) Show SMILES CCC(=O)N1CCCC(C1)C(C)(O)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)O[Si](C)(C)C(C)(C)C Show InChI InChI=1S/C35H63NO3Si/c1-10-31(37)36-21-11-12-25(23-36)35(7,38)30-16-15-28-27-14-13-24-22-26(39-40(8,9)32(2,3)4)17-19-33(24,5)29(27)18-20-34(28,30)6/h24-30,38H,10-23H2,1-9H3/t24?,25?,26-,27?,28?,29?,30-,33-,34-,35?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair
Cycloartenol-C-24-methyltransferase (Arabidopsis thaliana)	BDBM50134728 ((3S,10S,13S,17S)-17-[1-(3-Chloro-pyridin-4-yl)-1-h...) Show SMILES CC(O)([C@H]1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)c1ccncc1Cl Show InChI InChI=1S/C26H38ClNO2/c1-24-11-8-17(29)14-16(24)4-5-18-19-6-7-23(25(19,2)12-9-20(18)24)26(3,30)21-10-13-28-15-22(21)27/h10,13,15-20,23,29-30H,4-9,11-12,14H2,1-3H3/t16?,17-,18?,19?,20?,23-,24-,25-,26?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against L. major Sterol 24-C-methyltransferase (24-SMT)				J Med Chem 46: 4714-27 (2003) Article DOI: 10.1021/jm021114j BindingDB Entry DOI: 10.7270/Q2K073PR
					More data for this Ligand-Target Pair