Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50007424   

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
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50509323 (CHEMBL4436622) Show SMILES [H][C@]12C=C(COC(=O)[C@]1([H])[C@](O)(COC(=O)C(\CO)=C\[C@@H]1[C@H](CC[C@@](O)(COC(=O)C(\CO)=C\[C@@H]3[C@H](CCC4=C3C(=O)OC4)C(C)C)[C@H]1C(O)=O)C(C)C)CC[C@@H]2C(C)C)C(O)=O |r,c:2,39| Show InChI InChI=1S/C45H62O16/c1-22(2)29-8-7-25-18-58-42(54)35(25)32(29)13-26(16-46)40(52)60-20-44(56)11-9-30(23(3)4)33(36(44)39(50)51)14-27(17-47)41(53)61-21-45(57)12-10-31(24(5)6)34-15-28(38(48)49)19-59-43(55)37(34)45/h13-15,22-24,29-34,36-37,46-47,56-57H,7-12,16-21H2,1-6H3,(H,48,49)(H,50,51)/b26-13+,27-14+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...				J Nat Prod 82: 3165-3175 (2019) Article DOI: 10.1021/acs.jnatprod.9b00760 BindingDB Entry DOI: 10.7270/Q2KW5KB8
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50509324 (CHEMBL4463460) Show SMILES [H][C@]12C=C(COC(=O)[C@]1([H])[C@](O)(COC(=O)C1=C[C@]3([H])[C@H](CC[C@@](O)(COC(=O)C(\CO)=C\[C@@H]4[C@H](CCC5=C4C(=O)OC5)C(C)C)[C@@]3([H])C(=O)OC1)C(C)C)CC[C@@H]2C(C)C)C(O)=O |r,c:2,38,t:17| Show InChI InChI=1S/C45H60O15/c1-22(2)29-8-7-25-17-56-41(51)35(25)32(29)13-26(16-46)39(49)59-20-44(54)12-10-31(24(5)6)34-15-28(19-58-43(53)37(34)44)40(50)60-21-45(55)11-9-30(23(3)4)33-14-27(38(47)48)18-57-42(52)36(33)45/h13-15,22-24,29-34,36-37,46,54-55H,7-12,16-21H2,1-6H3,(H,47,48)/b26-13+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...				J Nat Prod 82: 3165-3175 (2019) Article DOI: 10.1021/acs.jnatprod.9b00760 BindingDB Entry DOI: 10.7270/Q2KW5KB8
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50509325 (CHEMBL4524936) Show SMILES [H][C@]12[C@H](\C=C(/CO)C(=O)OC[C@]3(O)CC[C@H](C(C)C)[C@@]4([H])C=C(COC(=O)[C@]34[H])C(=O)OC[C@]3(O)CC[C@H](C(C)C)[C@@]4([H])C=C(COC(=O)[C@]34[H])C(O)=O)[C@H](CC[C@@]1(O)COC2=O)C(C)C |r,c:21,45| Show InChI InChI=1S/C45H62O16/c1-22(2)28-7-12-45(56)21-61-42(53)36(45)31(28)13-25(16-46)38(49)59-19-43(54)11-9-30(24(5)6)33-15-27(18-58-41(52)35(33)43)39(50)60-20-44(55)10-8-29(23(3)4)32-14-26(37(47)48)17-57-40(51)34(32)44/h13-15,22-24,28-36,46,54-56H,7-12,16-21H2,1-6H3,(H,47,48)/b25-13+/t28-,29-,30-,31-,32-,33-,34-,35-,36-,43-,44-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...				J Nat Prod 82: 3165-3175 (2019) Article DOI: 10.1021/acs.jnatprod.9b00760 BindingDB Entry DOI: 10.7270/Q2KW5KB8
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50509326 (CHEMBL4454696) Show SMILES [H][C@]12[C@H](\C=C(/CO)C(=O)OC[C@]3(O)CC[C@H](C(C)C)[C@@H](\C=C(/CO)C(=O)O[C@]45COC(=O)[C@@]4([H])[C@H](\C=C(/CO)C(O)=O)[C@H](CC5)C(C)C)[C@@H]3C(O)=O)[C@H](CC[C@@]1(O)COC2=O)C(C)C |r| Show InChI InChI=1S/C45H64O17/c1-22(2)28-7-10-43(57,19-59-39(53)26(17-47)14-32-29(23(3)4)8-11-44(58)20-60-41(55)35(32)44)34(38(51)52)31(28)15-27(18-48)40(54)62-45-12-9-30(24(5)6)33(13-25(16-46)37(49)50)36(45)42(56)61-21-45/h13-15,22-24,28-36,46-48,57-58H,7-12,16-21H2,1-6H3,(H,49,50)(H,51,52)/b25-13+,26-14+,27-15+/t28-,29-,30-,31-,32-,33-,34-,35-,36-,43-,44-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...				J Nat Prod 82: 3165-3175 (2019) Article DOI: 10.1021/acs.jnatprod.9b00760 BindingDB Entry DOI: 10.7270/Q2KW5KB8
					More data for this Ligand-Target Pair