Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'huang' and Initial = 'yc'   

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
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM50326392 ((2S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-2-y...) Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 |r| Show InChI InChI=1S/C20H20F2N4O3/c21-20(22)7-15(8-23)26(11-20)19(29)16-5-14(18(28)24-16)6-17(27)25-9-12-3-1-2-4-13(12)10-25/h1-4,14-16H,5-7,9-11H2,(H,24,28)/t14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant FAP expressed in Hi5 insect cells by Lineweaver-Burke plot analysis				J Med Chem 53: 6572-83 (2010) Article DOI: 10.1021/jm1002556 BindingDB Entry DOI: 10.7270/Q23F4QM9
					More data for this Ligand-Target Pair
Prolyl endopeptidase FAP (Homo sapiens (Human))	BDBM50326373 ((R)-1-(2-(1-naphthamido)acetyl)pyrrolidin-2-ylboro...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant FAP expressed in Hi5 insect cells by Lineweaver-Burke plot analysis				J Med Chem 53: 6572-83 (2010) Article DOI: 10.1021/jm1002556 BindingDB Entry DOI: 10.7270/Q23F4QM9
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50579499 (CHEMBL4847875) Show SMILES CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(nc4)C(F)(F)F)cc3)ncnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild-type human partial length CSF1R (I564 to S939 residues) expressed in bacterial expression system by Kinomescan method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.880	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50579499 (CHEMBL4847875) Show SMILES CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(nc4)C(F)(F)F)cc3)ncnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human c-Kit by Kinomescan method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50579496 (CHEMBL4851545) Show SMILES CC(NC(=O)Nc1ccc(Oc2ncnc3cc(ccc23)N(C)C)cc1)c1nccs1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in Sf9 insect cells using poly(Glu,Tyr) as substrate incubated for 20 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565054 (CHEMBL4783872) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565054 (CHEMBL4783872) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50146971 (2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1...) Show SMILES N[C@@H](CCNCc1ccccc1Cl)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H24ClN3O/c17-14-7-3-2-6-13(14)12-19-9-8-15(18)16(21)20-10-4-1-5-11-20/h2-3,6-7,15,19H,1,4-5,8-12,18H2/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged DPP2 expressed in insect cells				J Med Chem 53: 6572-83 (2010) Article DOI: 10.1021/jm1002556 BindingDB Entry DOI: 10.7270/Q23F4QM9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565054 (CHEMBL4783872) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured aft...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565054 (CHEMBL4783872) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measu...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured aft...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 2.5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured aft...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human KB-VIN cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincristine IC50 at 5 uM measured...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50579463 (CHEMBL4851635) Show SMILES CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccc(F)cc4)cc3)ncnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in Sf9 insect cells using poly(Glu,Tyr) as substrate incubated for 20 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincris...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50579464 (CHEMBL4867079) Show SMILES Fc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1 Show InChI	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	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-AURKA (residues Ser123 to Ser401) (unknown origin) expressed in Sf9 insect cells using tetra(-LRRASLG) peptide as subst...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50579465 (CHEMBL4861838) Show SMILES COc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1 Show InChI	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	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-AURKA (residues Ser123 to Ser401) (unknown origin) expressed in Sf9 insect cells using tetra(-LRRASLG) peptide as subst...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human full-length ABCB1 expressed in FLp-In-293 cells assessed as potentiation of vincristine-induced cytotoxicity by measuring vincris...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565052 (CHEMBL4792609) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3Cl)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50326372 ((S)-1-((S)-2-amino-5-(1-oxoisoindolin-2-yl)pentano...) Show SMILES N[C@@H](CCCN1Cc2ccccc2C1=O)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H22N4O2/c19-11-14-6-3-10-22(14)18(24)16(20)8-4-9-21-12-13-5-1-2-7-15(13)17(21)23/h1-2,5,7,14,16H,3-4,6,8-10,12,20H2/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged DPP4 expressed in insect cells				J Med Chem 53: 6572-83 (2010) Article DOI: 10.1021/jm1002556 BindingDB Entry DOI: 10.7270/Q23F4QM9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565054 (CHEMBL4783872) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured aft...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50579474 (CHEMBL4850463) Show SMILES O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3ccc(cc23)N2CCCC2)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in Sf9 insect cells using poly(Glu,Tyr) as substrate incubated for 20 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50579464 (CHEMBL4867079) Show SMILES Fc1ccc2c(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)ncnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in Sf9 insect cells using poly(Glu,Tyr) as substrate incubated for 20 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565051 (CHEMBL4783930) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3ccccc3C)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measure...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565053 (CHEMBL4790157) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(c(NC(=O)c3cccc(F)c3)oc2c1)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in human HeLa S3 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 5 uM measured ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50565054 (CHEMBL4783872) Show SMILES COc1ccc(cc1)-c1cc(OC(C)=O)c2c(-c3cccs3)c(oc2c1)N(C(C)=O)C(C)=O Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABCB1 in FLp-In-293 cells assessed as potentiation of paclitaxel-induced cytotoxicity by measuring paclitaxel IC50 at 2.5 uM measured a...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112422 BindingDB Entry DOI: 10.7270/Q22Z1974
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM50579476 (CHEMBL4860468) Show SMILES CN(C)c1ccc2c(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ncnc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in Sf9 insect cells using poly(Glu,Tyr) as substrate incubated for 20 min...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01006 BindingDB Entry DOI: 10.7270/Q2W3815D
					More data for this Ligand-Target Pair

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