BDBM50442889 CHEMBL3039300

SMILES: CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC22OC3(C)O[C@]11[C@]4(C)[C@@H](CC(=O)OC)C5(C)CC4(O)[C@](O)(C5OC(=O)C4(C)OC4C)[C@@H](OC(C)=O)[C@]21O3)c1ccoc1

InChI Key: InChIKey=HPSILLNWMJOWNM-UJMOMDHXSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50442889   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50442889 (CHEMBL3039300) Show SMILES CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC22OC3(C)O[C@]11[C@]4(C)[C@@H](CC(=O)OC)C5(C)CC4(O)[C@](O)(C5OC(=O)C4(C)OC4C)[C@@H](OC(C)=O)[C@]21O3)c1ccoc1 |r| Show InChI InChI=1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23-,24+,27-,29?,30+,32?,33-,34?,35+,36?,37?,38?,39-,40-,41-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM50442889 (CHEMBL3039300) Show SMILES CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC22OC3(C)O[C@]11[C@]4(C)[C@@H](CC(=O)OC)C5(C)CC4(O)[C@](O)(C5OC(=O)C4(C)OC4C)[C@@H](OC(C)=O)[C@]21O3)c1ccoc1 |r| Show InChI InChI=1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23-,24+,27-,29?,30+,32?,33-,34?,35+,36?,37?,38?,39-,40-,41-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM50442889 (CHEMBL3039300) Show SMILES CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC22OC3(C)O[C@]11[C@]4(C)[C@@H](CC(=O)OC)C5(C)CC4(O)[C@](O)(C5OC(=O)C4(C)OC4C)[C@@H](OC(C)=O)[C@]21O3)c1ccoc1 |r| Show InChI InChI=1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23-,24+,27-,29?,30+,32?,33-,34?,35+,36?,37?,38?,39-,40-,41-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50442889 (CHEMBL3039300) Show SMILES CCC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)CC22OC3(C)O[C@]11[C@]4(C)[C@@H](CC(=O)OC)C5(C)CC4(O)[C@](O)(C5OC(=O)C4(C)OC4C)[C@@H](OC(C)=O)[C@]21O3)c1ccoc1 |r| Show InChI InChI=1S/C41H52O17/c1-11-19(2)28(45)52-24-15-33(6)27(22-12-13-50-17-22)53-26(44)16-38(33)41-30(51-21(4)42)39(48)29(54-31(46)34(7)20(3)55-34)32(5)18-37(39,47)35(8,23(32)14-25(43)49-10)40(24,41)57-36(9,56-38)58-41/h12-13,17,19-20,23-24,27,29-30,47-48H,11,14-16,18H2,1-10H3/t19?,20?,23-,24+,27-,29?,30+,32?,33-,34?,35+,36?,37?,38?,39-,40-,41-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair