Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'hwee' and Initial = 'dt'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50579537 (CHEMBL4858551) Show SMILES NC(=O)c1ccn(c1)-c1ccc(NCC2(CCC2)c2ncccc2F)nn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by patch clamp assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01067 BindingDB Entry DOI: 10.7270/Q2GX4GDZ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS ana...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6a-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as mephenytoin 4-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/M...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6-beta-hydroxylation reaction incubated for 30 mins in presence of NADP by LC...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hyrozylation reaction incubated for 30 mins in presence of NADP by LC-MS/MS a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50579536 (CHEMBL4854094) Show SMILES NC(=O)c1cnn(c1)-c1ccc(NCC2(CCC2)c2ncccc2F)nn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by patch clamp assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01067 BindingDB Entry DOI: 10.7270/Q2GX4GDZ
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50575173 (CHEMBL4847050) Show SMILES CCc1nc(no1)-c1ccc2[C@@H](CCc2c1)NC(=O)c1cnn(C)c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A5 in human liver microsomes incubated for 30 mins in presence of NADP by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50579535 (CHEMBL4878374) Show SMILES NC(=O)c1cnc(s1)-c1ccc(NCC2(CCC2)c2ncccc2F)nn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG expressed in HEK293 cells at -80 mV holding potential by patch clamp assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01067 BindingDB Entry DOI: 10.7270/Q2GX4GDZ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50575174 (Mavacamten) Show SMILES CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of CYP2B6 in human hepatocytes assessed as mRNA expression incubated for 3 days by RT-RTPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50575174 (Mavacamten) Show SMILES CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Induction of CYP3A4 in human hepatocytes assessed as mRNA expression incubated for 3 days by RT-RTPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01290 BindingDB Entry DOI: 10.7270/Q2SF30ZX
					More data for this Ligand-Target Pair