Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50514164'   

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))	BDBM50514164 (CHEMBL4437065) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1 Show InChI InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966 BindingDB Entry DOI: 10.7270/Q27084RB
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50514164 (CHEMBL4437065) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1 Show InChI InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966 BindingDB Entry DOI: 10.7270/Q27084RB
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50514164 (CHEMBL4437065) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1 Show InChI InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966 BindingDB Entry DOI: 10.7270/Q27084RB
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50514164 (CHEMBL4437065) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1 Show InChI InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	426	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966 BindingDB Entry DOI: 10.7270/Q27084RB
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50514164 (CHEMBL4437065) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1 Show InChI InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.41E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966 BindingDB Entry DOI: 10.7270/Q27084RB
					More data for this Ligand-Target Pair