BDBM50442905 CHEMBL1526240::Dihydrogambogic-acid

SMILES: [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6]

InChI Key: InChIKey=VZXLWEWYBUGLJA-XKZIYDEJSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50442905   

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))	BDBM50442905 (CHEMBL1526240 | Dihydrogambogic-acid) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |c:22,33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22| Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,33,39,41H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.23E+3	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))	BDBM50442905 (CHEMBL1526240 | Dihydrogambogic-acid) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |c:22,33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22| Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,33,39,41H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	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))	BDBM50442905 (CHEMBL1526240 | Dihydrogambogic-acid) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |c:22,33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22| Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,33,39,41H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.88E+3	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
Replicase polyprotein 1ab (2019-nCoV)	BDBM50442905 (CHEMBL1526240 | Dihydrogambogic-acid) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |c:22,33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22| Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,33,39,41H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Pasteur Korea					Assay Description Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...				Antimicrob Agents Chemother 64: (2020) Article DOI: 10.1128/AAC.00819-20 BindingDB Entry DOI: 10.7270/Q22N54QR
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50442905 (CHEMBL1526240 | Dihydrogambogic-acid) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]C1([#6])[#8]-c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c3-[#8]C45[#6]6-[#6]-[#6](-[#6]=[#6]4-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-[#6](-[#8])C5([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)[#8]C6([#6])[#6] |c:22,33,TLB:42:34:19.20:23.22,22:21:18:42.43,24:23:34.32:19.20,33:32:18:42.43,35:34:19.20:23.22,23:18:42.43:32.21.20,THB:17:18:42.43:32.21.20,33:32:19.20:23.22,43:19:34.32:23.22| Show InChI InChI=1S/C38H46O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,33,39,41H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	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