Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50011444   

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
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547685 (CHEMBL4751427) Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.25E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50098305 (CHEMBL3590405) Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2 expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547687 (CHEMBL4750026) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547688 (CHEMBL4751374) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.16E+6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547689 (CHEMBL4762063) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.05E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547690 (CHEMBL4795500) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.85E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547691 (CHEMBL4792431) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.81E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547692 (CHEMBL4748520) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547693 (CHEMBL4794843) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.44E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547694 (CHEMBL4748267) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.57E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547695 (CHEMBL4762443) Show SMILES CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.14E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50098305 (CHEMBL3590405) Show SMILES Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50547687 (CHEMBL4750026) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2 (1-20 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2 (Homo sapiens (Human))	BDBM50547689 (CHEMBL4762063) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2 (1-25 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair
ATPase family AAA domain-containing protein 2B (Homo sapiens (Human))	BDBM50547686 (CHEMBL4786330) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(C)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal GST tagged human ATAD2B (953-1085 residues) expressed in Escherichia coli by ITC analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01178 BindingDB Entry DOI: 10.7270/Q2G44TWF
					More data for this Ligand-Target Pair