Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50567579'   

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))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of paclitaxel stimulated- P-gp ATPase activity (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE 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 wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01272 BindingDB Entry DOI: 10.7270/Q2S75M7N
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-gp-mediated multidrug resistance in human KB/VCR cells assessed as potentiation of vincristine-induced antiproliferative activity by me...				Citation and Details Article DOI: 10.1021/acs.jnatprod.0c01182 BindingDB Entry DOI: 10.7270/Q2VQ36F2
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-gp in human Caco-2 cells assessed as reduction in paclitaxel efflux pre-incubated for 30 mins and measured after 120 mins by LC-MS/MS...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-gp (unknown origin) expressed in MCF7 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity by meas...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as cell growth inhibition after 3 days in presence of 200 nM paclitaxel by...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50567579 (Encequidar | HM-30181 | HM30181 | HM30181AK | Pgp ...) Show SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-gp (unknown origin) expressed in MES-SA/DX5 cells assessed as increase in reversal of resistance to paclitaxel-induced cytotoxicity b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01826 BindingDB Entry DOI: 10.7270/Q2KP85ZF
					More data for this Ligand-Target Pair