Compile Data Set for Download or QSAR

Found 121 hits with Last Name = 'cheng' and Initial = 'ptw'   

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
Hexokinase-4 (Homo sapiens (Human))	BDBM50585812 (CHEMBL5091943) Show SMILES CCOP(=O)(Cc1csc(NC(=O)c2cc(O[C@@H](C)COC)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hexokinase-4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled derivative from recombinant human hepatic glucokinase incubated for 30 mins in presence of 12 mM glucose by fluor...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581556 (CHEMBL5085260) Show SMILES CN(C1CCCC1)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581557 (CHEMBL5070789) Show SMILES CCCCN(C)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581555 (CHEMBL5085115) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1cnc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BSEP (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MRP4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Phosphatidylcholine translocator ABCB4 (Homo sapiens)	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MDR3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50581555 (CHEMBL5085115) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1cnc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BSEP (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC 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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581554 (CHEMBL5092698) Show SMILES CN(C1CCCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581558 (CHEMBL5083511) Show SMILES CN(C1CCCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MRP4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BSEP (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50581550 (AP-3152 FREE ACID | BMS-986020 | Bms-986020) Show SMILES C[C@@H](OC(=O)Nc1c(C)noc1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MRP3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MRP3 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50585813 (CHEMBL5072532) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3cnc(cn3)C(=O)N3CCC3)c2)n1)OCC 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585829 (CHEMBL5092846) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)C(C)C)c2)n1)OCC 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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585830 (CHEMBL5072442) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(C)C)cc(Oc3ccc(cc3)S(=O)(=O)N3CCC3)c2)n1)OCC 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	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581553 (CHEMBL5070166) Show SMILES CN(C1CCCC1)C(=O)OCc1c(C)noc1-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)nn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of OATP1B1 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| 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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| 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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C8 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| 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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| 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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50581551 (CHEMBL5072201) Show SMILES CN(CC1CCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2B6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |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	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50585823 (CHEMBL5081517) Show SMILES CCOP(=O)(Cn1ccc(NC(=O)c2cc(OC(CF)CF)cc(Oc3ccc(cc3)S(C)(=O)=O)c2)n1)OCC 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	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG by patch clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02110 BindingDB Entry DOI: 10.7270/Q2057KV7
					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50581554 (CHEMBL5092698) Show SMILES CN(C1CCCC1)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of BSEP (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50581552 (BMS-986278 | Bms-986278) Show SMILES CCCN(C)C(=O)OCc1c(nnn1C)-c1ccc(O[C@H]2CCC[C@@H](C2)C(O)=O)c(C)n1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MRP4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01256 BindingDB Entry DOI: 10.7270/Q2PZ5DP9
					More data for this Ligand-Target Pair

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