Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50016418   

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
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114068 BindingDB Entry DOI: 10.7270/Q29W0KH4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50594814 (CHEMBL5192190) Show SMILES CCCCc1nc(Cl)c(COC(=O)CCC(=O)Oc2cc(ccc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114068 BindingDB Entry DOI: 10.7270/Q29W0KH4
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50594815 (CHEMBL5203983) Show SMILES CCCCc1nc(Cl)c(COC(=O)CCC(=O)Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114068 BindingDB Entry DOI: 10.7270/Q29W0KH4
					More data for this Ligand-Target Pair
Urease subunit beta (Helicobacter pylori (strain ATCC 700392 / 26695) (...)	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	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	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114068 BindingDB Entry DOI: 10.7270/Q29W0KH4
					More data for this Ligand-Target Pair
UDP-galactopyranose mutase (Mycobacterium tuberculosis H37Rv)	BDBM50594816 (CHEMBL5205613) Show SMILES Cl.Oc1ccc(cc1O)-c1oc2c(CN3CCCC3)c(O)cc(O)c2c(=O)c1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114068 BindingDB Entry DOI: 10.7270/Q29W0KH4
					More data for this Ligand-Target Pair
UDP-galactopyranose mutase (Mycobacterium tuberculosis H37Rv)	BDBM50262559 (2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-8-(piperi...) Show SMILES Oc1ccc(cc1O)-c1oc2c(CN3CCCCC3)c(O)cc(O)c2c(=O)c1O Show InChI InChI=1S/C21H21NO7/c23-13-5-4-11(8-15(13)25)20-19(28)18(27)17-16(26)9-14(24)12(21(17)29-20)10-22-6-2-1-3-7-22/h4-5,8-9,23-26,28H,1-3,6-7,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.114068 BindingDB Entry DOI: 10.7270/Q29W0KH4
					More data for this Ligand-Target Pair