Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50485612'   

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
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50485612 (GOMISIN A) Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)				Life Sci 80: 741-8 (2007) Article DOI: 10.1016/j.lfs.2006.11.002 BindingDB Entry DOI: 10.7270/Q2J67KT3
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50485612 (GOMISIN A) Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.36	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells				Life Sci 80: 741-8 (2007) Article DOI: 10.1016/j.lfs.2006.11.002 BindingDB Entry DOI: 10.7270/Q2J67KT3
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50485612 (GOMISIN A) Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNR transport in HL60/ADR cells (overexpression of MRP1)				Life Sci 80: 741-8 (2007) Article DOI: 10.1016/j.lfs.2006.11.002 BindingDB Entry DOI: 10.7270/Q2J67KT3
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50485612 (GOMISIN A) Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNR transport in HL60/MRP cells				Life Sci 80: 741-8 (2007) Article DOI: 10.1016/j.lfs.2006.11.002 BindingDB Entry DOI: 10.7270/Q2J67KT3
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50485612 (GOMISIN A) Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of VP-16 transport in HL60/MRP cells				Life Sci 80: 741-8 (2007) Article DOI: 10.1016/j.lfs.2006.11.002 BindingDB Entry DOI: 10.7270/Q2J67KT3
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50485612 (GOMISIN A) Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r| Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of VP-16 transport in HL60/ADR cells (overexpression of MRP1)				Life Sci 80: 741-8 (2007) Article DOI: 10.1016/j.lfs.2006.11.002 BindingDB Entry DOI: 10.7270/Q2J67KT3
					More data for this Ligand-Target Pair