Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'capon' and Initial = 'rj'   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584508 (CHEMBL5083312) Show SMILES [H][C@]12CN([C@H](CN1C(=O)c1ccccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584517 (CHEMBL5078371) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)c1cccnc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584527 (CHEMBL5069845) Show SMILES [H][C@]12CN([C@@H](CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584526 (CHEMBL5086978) Show SMILES [H][C@]12CN([C@H](CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584516 (CHEMBL5081790) Show SMILES [H][C@]12CN([C@H](CN1C(=O)c1cccnc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584518 (CHEMBL5087474) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)c1cnccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584509 (CHEMBL5078037) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)c1ccccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584525 (CHEMBL5084637) Show SMILES [H][C@]12CN(C=CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r,c:4| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584528 (CHEMBL5087484) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50537903 (CHEMBL4639635) Show SMILES [H][C@]12CN3C[C@H](Cc4cc5OCOc5c(OC)c4)N(C[C@]3([H])[C@@]1([H])c1cc3OCOc3c(OC)c1[C@@H]2c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C33H34N2O7/c1-18(36)35-15-24-29-22-12-27-32(42-17-40-27)33(38-3)30(22)28(20-7-5-4-6-8-20)23(29)14-34(24)13-21(35)9-19-10-25(37-2)31-26(11-19)39-16-41-31/h4-8,10-12,21,23-24,28-29H,9,13-17H2,1-3H3/t21-,23+,24+,28+,29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...				J Nat Prod 83: 497-504 (2020) Article DOI: 10.1021/acs.jnatprod.9b01181 BindingDB Entry DOI: 10.7270/Q23F4T65
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584512 (CHEMBL5089197) Show SMILES [H][C@]12CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN1C(=O)[C@]1([H])[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50600678 (CHEMBL5176174) Show SMILES [H][C@]12C=C(C)[C@@]3([H])\C(C)=C\CC\C(C)=C\[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2OC(=O)CCCC |r,c:28,t:2,8,13,17| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00444 BindingDB Entry DOI: 10.7270/Q2H9997N
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584551 (CHEMBL5085892) Show SMILES [H][C@]12CN[C@H](CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=C)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584549 (CHEMBL5085105) Show SMILES [H][C@]12CN[C@H](CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584550 (CHEMBL5082959) Show SMILES [H][C@]12CN[C@@H](CN1C(=O)c1ncccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584514 (CHEMBL5085998) Show SMILES [H][C@]12CN(C=CN1C(=O)c1cccnc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r,c:4| Show InChI	PDB UniProtKB/SwissProt B.MOAD 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 P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00821 BindingDB Entry DOI: 10.7270/Q2XW4PVZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584553 (CHEMBL5088529) Show SMILES [H][C@]12CN[C@@H](CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584547 (CHEMBL5084699) Show SMILES [H][C@]12CN3C[C@H](Cc4cc5OCOc5c(OC)c4)NC[C@]3([H])[C@@]1([H])c1cc3OCOc3c(OC)c1[C@@H]2c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584552 (CHEMBL5080016) Show SMILES [H][C@]12CN[C@H](CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584507 (CHEMBL5088766) Show SMILES [H][C@]12CN(C=CN1C(=O)c1ccccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r,c:4| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM81939 (CAS_52-53-9 | NSC_62969 | VERAPAMIL) Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...				J Nat Prod 83: 497-504 (2020) Article DOI: 10.1021/acs.jnatprod.9b01181 BindingDB Entry DOI: 10.7270/Q23F4T65
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50537908 (CHEMBL4641108) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C31H30N2O6/c1-18(34)32-16-23-27-22-14-24-28(39-17-38-24)29(37-2)25(22)26(20-11-7-4-8-12-20)31(27,36)30(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,26-27,36H,13,15-17H2,1-2H3/t21-,23+,26-,27+,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...				J Nat Prod 83: 497-504 (2020) Article DOI: 10.1021/acs.jnatprod.9b01181 BindingDB Entry DOI: 10.7270/Q23F4T65
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50537908 (CHEMBL4641108) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C31H30N2O6/c1-18(34)32-16-23-27-22-14-24-28(39-17-38-24)29(37-2)25(22)26(20-11-7-4-8-12-20)31(27,36)30(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,26-27,36H,13,15-17H2,1-2H3/t21-,23+,26-,27+,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584515 (CHEMBL5087844) Show SMILES [H][C@]12CN(C=CN1C(=O)c1cnccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r,c:4| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584513 (CHEMBL5079104) Show SMILES [H][C@]12CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN1C(=O)[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50537904 (CHEMBL4646781) Show SMILES [H][C@]12CN([C@@H](Cc3cc4OCOc4c(OC)c3)CN1C[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C33H34N2O8/c1-18(36)35-14-23-29-22-12-26-31(43-17-41-26)32(39-3)27(22)28(20-7-5-4-6-8-20)33(29,37)15-34(23)13-21(35)9-19-10-24(38-2)30-25(11-19)40-16-42-30/h4-8,10-12,21,23,28-29,37H,9,13-17H2,1-3H3/t21-,23+,28-,29+,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...				J Nat Prod 83: 497-504 (2020) Article DOI: 10.1021/acs.jnatprod.9b01181 BindingDB Entry DOI: 10.7270/Q23F4T65
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584531 (CHEMBL5086802) Show SMILES [H][C@]12CN([C@H](CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584532 (CHEMBL5082328) Show SMILES [H][C@]12CN([C@@H](CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584545 (CHEMBL5089749) Show SMILES [H][C@]12CN[C@H](CN1C(=O)c1ccccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584554 (CHEMBL5088832) Show SMILES [H][C@]12CN[C@H](CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=C)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50509323 (CHEMBL4436622) Show SMILES [H][C@]12C=C(COC(=O)[C@]1([H])[C@](O)(COC(=O)C(\CO)=C\[C@@H]1[C@H](CC[C@@](O)(COC(=O)C(\CO)=C\[C@@H]3[C@H](CCC4=C3C(=O)OC4)C(C)C)[C@H]1C(O)=O)C(C)C)CC[C@@H]2C(C)C)C(O)=O |r,c:2,39| Show InChI InChI=1S/C45H62O16/c1-22(2)29-8-7-25-18-58-42(54)35(25)32(29)13-26(16-46)40(52)60-20-44(56)11-9-30(23(3)4)33(36(44)39(50)51)14-27(17-47)41(53)61-21-45(57)12-10-31(24(5)6)34-15-28(38(48)49)19-59-43(55)37(34)45/h13-15,22-24,29-34,36-37,46-47,56-57H,7-12,16-21H2,1-6H3,(H,48,49)(H,50,51)/b26-13+,27-14+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...				J Nat Prod 82: 3165-3175 (2019) Article DOI: 10.1021/acs.jnatprod.9b00760 BindingDB Entry DOI: 10.7270/Q2KW5KB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584533 (CHEMBL5088206) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50596547 (CHEMBL5193426) Show SMILES [H][C@]1(CCc2c3C=CC(=O)c4c(O)c5[C@H](C)OC(CC(O)=O)=Cc5c(n12)c34)[C@@H](C)O |r,c:6,21| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00821 BindingDB Entry DOI: 10.7270/Q2XW4PVZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584530 (CHEMBL5069922) Show SMILES [H][C@]12CN(C=CN1C(=O)c1ccncc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(C)=O |r,c:4| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584548 (CHEMBL5076013) Show SMILES [H][C@]12CN[C@@H](Cc3ccccc3)CN1C(=O)[C@]1([H])[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584546 (CHEMBL5089017) Show SMILES [H][C@]12CN[C@H](CN1C(=O)c1ccccc1[C@]2([H])c1cc2OCOc2c(OC)c1)C(=C)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50537907 (CHEMBL4636390) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)[C@]1([H])[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C31H30N2O5/c1-18(34)32-16-23-26-22-14-24-29(38-17-37-24)30(36-2)27(22)25(20-11-7-4-8-12-20)28(26)31(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,25-26,28H,13,15-17H2,1-2H3/t21-,23+,25-,26+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...				J Nat Prod 83: 497-504 (2020) Article DOI: 10.1021/acs.jnatprod.9b01181 BindingDB Entry DOI: 10.7270/Q23F4T65
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50537907 (CHEMBL4636390) Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)[C@]1([H])[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C31H30N2O5/c1-18(34)32-16-23-26-22-14-24-29(38-17-37-24)30(36-2)27(22)25(20-11-7-4-8-12-20)28(26)31(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,25-26,28H,13,15-17H2,1-2H3/t21-,23+,25-,26+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50596546 (CHEMBL5194241) Show SMILES [H][C@]1(CCc2c3C=CC(=O)c4c(O)c5[C@H](C)O[C@@H](CC(=O)OC)Cc5c(n12)c34)[C@@H](C)O |r,c:6| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00821 BindingDB Entry DOI: 10.7270/Q2XW4PVZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50596548 (CHEMBL5205284) Show SMILES [H][C@]1(CCc2c3C=CC(=O)c4c(O)c5[C@@H](C)OC(CC(O)=O)=Cc5c(n12)c34)[C@@H](C)O |r,c:6,21| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00821 BindingDB Entry DOI: 10.7270/Q2XW4PVZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50596549 (CHEMBL5175965) Show SMILES [H][C@]1(CCc2c3C=CC(=O)c4c(O)c5[C@H](C)O[C@@H](CC(O)=O)C(=O)c5c(n12)c34)[C@@H](C)O |r,c:6| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00821 BindingDB Entry DOI: 10.7270/Q2XW4PVZ
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50596544 (CHEMBL5204503) Show SMILES [H][C@@]1(CCc2c3C=CC(=O)c4c(O)c5[C@@H](C)O[C@H](CC(O)=O)Cc5c(n12)c34)[C@@H](C)O |r,c:6| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00821 BindingDB Entry DOI: 10.7270/Q2XW4PVZ
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50509324 (CHEMBL4463460) Show SMILES [H][C@]12C=C(COC(=O)[C@]1([H])[C@](O)(COC(=O)C1=C[C@]3([H])[C@H](CC[C@@](O)(COC(=O)C(\CO)=C\[C@@H]4[C@H](CCC5=C4C(=O)OC5)C(C)C)[C@@]3([H])C(=O)OC1)C(C)C)CC[C@@H]2C(C)C)C(O)=O |r,c:2,38,t:17| Show InChI InChI=1S/C45H60O15/c1-22(2)29-8-7-25-17-56-41(51)35(25)32(29)13-26(16-46)39(49)59-20-44(54)12-10-31(24(5)6)34-15-28(19-58-43(53)37(34)44)40(50)60-21-45(55)11-9-30(23(3)4)33-14-27(38(47)48)18-57-42(52)36(33)45/h13-15,22-24,29-34,36-37,46,54-55H,7-12,16-21H2,1-6H3,(H,47,48)/b26-13+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...				J Nat Prod 82: 3165-3175 (2019) Article DOI: 10.1021/acs.jnatprod.9b00760 BindingDB Entry DOI: 10.7270/Q2KW5KB8
					More data for this Ligand-Target Pair
Cholesterol side-chain cleavage enzyme, mitochondrial (Rattus norvegicus)	BDBM50600667 (CHEMBL5180164) Show SMILES [H][C@]12C=C(C)[C@@]3([H])\C(C)=C\CC\C(C)=C\[C@]4([H])C=C([C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC(=O)c1c(C)cc(OC)cc1O)C(O)=O |r,c:17,27,t:2,8,13| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00444 BindingDB Entry DOI: 10.7270/Q2H9997N
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50584529 (CHEMBL5094661) Show SMILES [H][C@]1(Cc2cc3OCOc3c(OC)c2)CN([C@@H](Cc2ccccc2)CN1C(=O)c1ccccn1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01989 BindingDB Entry DOI: 10.7270/Q2QZ2FV4
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50530578 (CHEMBL4452781) Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r,t:4| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h7,13-14,17,21,28H,5-6,8-12,15H2,1-4H3/t17-,21+,24+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate incubated for 30 mins				J Nat Prod 82: 2586-2593 (2019) Article DOI: 10.1021/acs.jnatprod.9b00471 BindingDB Entry DOI: 10.7270/Q2PN993V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50530579 (CHEMBL4452883) Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of SHP1 (unknown origin)				J Nat Prod 82: 2586-2593 (2019) Article DOI: 10.1021/acs.jnatprod.9b00471 BindingDB Entry DOI: 10.7270/Q2PN993V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6 (Homo sapiens (Human))	BDBM50530579 (CHEMBL4452883) Show SMILES [H][C@@]12CCCC(=C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2nc3CCCn3c12 |r| Show InChI InChI=1S/C25H34N2O/c1-16-7-5-8-21-24(16,3)11-10-17(2)25(21,4)15-18-13-19(28)14-20-23(18)27-12-6-9-22(27)26-20/h13-14,17,21,28H,1,5-12,15H2,2-4H3/t17-,21+,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of SHP1 (unknown origin)				J Nat Prod 82: 2586-2593 (2019) Article DOI: 10.1021/acs.jnatprod.9b00471 BindingDB Entry DOI: 10.7270/Q2PN993V
					More data for this Ligand-Target Pair

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