Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM30702'   

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))	BDBM30702 (ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41| Show InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells				Mol Pharmacol 61: 964-73 (2002) BindingDB Entry DOI: 10.7270/Q2W95B7Z
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mus musculus)	BDBM30702 (ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41| Show InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mus musculus (Mouse))	BDBM30702 (ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41| Show InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cells				J Pharmacol Exp Ther 303: 323-32 (2002) Article DOI: 10.1124/jpet.102.037549 BindingDB Entry DOI: 10.7270/Q2NZ8BH2
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM30702 (ERGOCRISTINE | MLS000069350 | SMR000058447 | cid_3...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41| Show InChI InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	PubMed	4.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells				Mol Pharmacol 61: 964-73 (2002) BindingDB Entry DOI: 10.7270/Q2W95B7Z
					More data for this Ligand-Target Pair