Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50016948   

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
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50598574 (CHEMBL5181737) Show SMILES OC[C@H]1O[C@@H](C\C(=C/C(O)=O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50598575 (CHEMBL5198493) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(NC(=O)Cn3cc(CO)nn3)cc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50598579 (CHEMBL5206789) Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C(=O)N\N=C\c2ccc(Oc3ccc(\C=N\NC(=O)c4ccc(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)cc4)cc3)cc2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50598577 (CHEMBL5192743) Show SMILES OC[C@H]1O[C@@H](OCc2cn(nn2)[C@@H]2[C@@H](CO)O[C@H]([C@H](O)[C@H]2O)n2cc(nn2)-c2ccc(cc2)-c2cn(nn2)[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50598578 (CHEMBL5202123) Show SMILES COc1ccc(\C=N\NC(=O)c2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
PA-I galactophilic lectin (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50598576 (CHEMBL3590184) Show SMILES OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair				3D Structure (crystal)