Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50350465   

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)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28.6	n/a	n/a	n/a	n/a	n/a	n/a
Lucknow University Curated by ChEMBL					Assay Description Antibacterial activity against Streptococcus faecalis by broth microdilution technique				Bioorg Med Chem Lett 16: 5883-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.060 BindingDB Entry DOI: 10.7270/Q2MK6GNN
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Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00444 BindingDB Entry DOI: 10.7270/Q2H9997N
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Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.30E+4	-23.3	5.68E+4	n/a	n/a	n/a	n/a	7.4	25
Erzincan University					Assay Description CA activity was assayed according to method of Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] described previously by Innocenti e...				J Enzyme Inhib Med Chem 27: 641-5 (2012) Article DOI: 10.3109/14756366.2011.604852 BindingDB Entry DOI: 10.7270/Q2WH2NXK
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60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
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Co-chaperonin GroES (Escherichia coli)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
					More data for this Ligand-Target Pair
Co-chaperonin GroES (Escherichia coli)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins in absence of compound followed by compo...				J Med Chem 61: 10651-10664 (2018) Article DOI: 10.1021/acs.jmedchem.8b01293 BindingDB Entry DOI: 10.7270/Q2MG7S6W
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Solute carrier family 15 member 1 (Homo sapiens (Human))	BDBM50350465 (AMPICILLIN | AY-6108 | Amcill | Aminobenzylpenicil...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 25000 uM) in PEPT1-expressing CHO cells				Pharm Res 13: 1631-4 (1996) Article DOI: 10.1023/a:1016476220296 BindingDB Entry DOI: 10.7270/Q2TM7DZF
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