Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50011600   

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
Protein polybromo-1 (Homo sapiens (Human))	BDBM50549129 (CHEMBL4788561) Show SMILES Nc1nnc(cc1N1CC[C@@H](O)[C@@H](O)C1)-c1ccccc1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50549126 (CHEMBL4793170) Show SMILES Nc1nnc(cc1N1CCC(O)CC1)-c1ccccc1O Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	448	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein polybromo-1 (Homo sapiens (Human))	BDBM394399 (US10308614, Example 1 | tert-butyl 4-(3-amino-6-(2...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1cc(nnc1N)-c1ccccc1O Show InChI InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein polybromo-1 (Homo sapiens (Human))	BDBM50549130 (CHEMBL4750084) Show SMILES Nc1nnc(cc1N1CCC[C@@H](C1)Oc1ccccc1)-c1ccccc1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50549128 (CHEMBL4753080) Show SMILES Nc1nnc(cc1N1CCC[C@H](C1)Oc1ccccc1)-c1ccccc1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	911	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S
					More data for this Ligand-Target Pair
Protein polybromo-1 (Homo sapiens (Human))	BDBM50549127 (CHEMBL4790365) Show SMILES Nc1nnc(cc1N1CCC[C@@H](O)C1)-c1ccccc1O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01242 BindingDB Entry DOI: 10.7270/Q2FR017S
					More data for this Ligand-Target Pair