BDBM50442903 CHEMBL3039411

SMILES: COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C

InChI Key: InChIKey=WAABTQYXHWIWME-GIMVZELVSA-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 = 50442903   

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))	BDBM50442903 (CHEMBL3039411) Show SMILES COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C |r,TLB:21:20:59.5:8,13:11:59:20.14.15,15:20:59.5:8,THB:12:11:59:20.14.15,57:59:20.22:8,23:22:59.5:8,4:5:20.22:8,60:59:20.22:8| Show InChI InChI=1S/C43H54O18/c1-18(2)27(48)26-28-37(9,29(57-33(26)50)23-13-14-53-16-23)30(54-20(5)44)31(55-21(6)45)43-38(10)24(15-25(47)52-12)36(8)17-40(38)41(51,34(36)58-32(49)19(3)4)35(56-22(7)46)42(28,43)60-39(11,59-40)61-43/h13-14,16,18-19,24,26,28-31,34-35,51H,15,17H2,1-12H3/t24-,26?,28?,29-,30?,31+,34?,35+,36?,37+,38+,39?,40?,41-,42+,43-/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))	BDBM50442903 (CHEMBL3039411) Show SMILES COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C |r,TLB:21:20:59.5:8,13:11:59:20.14.15,15:20:59.5:8,THB:12:11:59:20.14.15,57:59:20.22:8,23:22:59.5:8,4:5:20.22:8,60:59:20.22:8| Show InChI InChI=1S/C43H54O18/c1-18(2)27(48)26-28-37(9,29(57-33(26)50)23-13-14-53-16-23)30(54-20(5)44)31(55-21(6)45)43-38(10)24(15-25(47)52-12)36(8)17-40(38)41(51,34(36)58-32(49)19(3)4)35(56-22(7)46)42(28,43)60-39(11,59-40)61-43/h13-14,16,18-19,24,26,28-31,34-35,51H,15,17H2,1-12H3/t24-,26?,28?,29-,30?,31+,34?,35+,36?,37+,38+,39?,40?,41-,42+,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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))	BDBM50442903 (CHEMBL3039411) Show SMILES COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C |r,TLB:21:20:59.5:8,13:11:59:20.14.15,15:20:59.5:8,THB:12:11:59:20.14.15,57:59:20.22:8,23:22:59.5:8,4:5:20.22:8,60:59:20.22:8| Show InChI InChI=1S/C43H54O18/c1-18(2)27(48)26-28-37(9,29(57-33(26)50)23-13-14-53-16-23)30(54-20(5)44)31(55-21(6)45)43-38(10)24(15-25(47)52-12)36(8)17-40(38)41(51,34(36)58-32(49)19(3)4)35(56-22(7)46)42(28,43)60-39(11,59-40)61-43/h13-14,16,18-19,24,26,28-31,34-35,51H,15,17H2,1-12H3/t24-,26?,28?,29-,30?,31+,34?,35+,36?,37+,38+,39?,40?,41-,42+,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	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))	BDBM50442903 (CHEMBL3039411) Show SMILES COC(=O)C[C@H]1C2(C)CC34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(O)C2OC(=O)C(C)C)C2C(C(=O)C(C)C)C(=O)O[C@@H](c3ccoc3)[C@]2(C)C(OC(C)=O)[C@@H](OC(C)=O)[C@]6(O5)[C@]14C |r,TLB:21:20:59.5:8,13:11:59:20.14.15,15:20:59.5:8,THB:12:11:59:20.14.15,57:59:20.22:8,23:22:59.5:8,4:5:20.22:8,60:59:20.22:8| Show InChI InChI=1S/C43H54O18/c1-18(2)27(48)26-28-37(9,29(57-33(26)50)23-13-14-53-16-23)30(54-20(5)44)31(55-21(6)45)43-38(10)24(15-25(47)52-12)36(8)17-40(38)41(51,34(36)58-32(49)19(3)4)35(56-22(7)46)42(28,43)60-39(11,59-40)61-43/h13-14,16,18-19,24,26,28-31,34-35,51H,15,17H2,1-12H3/t24-,26?,28?,29-,30?,31+,34?,35+,36?,37+,38+,39?,40?,41-,42+,43-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	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