BDBM50442886 CHEMBL3137741

SMILES: [H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8]

InChI Key: InChIKey=CXFIQFGADOTDPF-CMLKYFHXSA-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 = 50442886   

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))	BDBM50442886 (CHEMBL3137741) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8] |c:13,TLB:32:33:42.43:46.3.2,47:46:6.5:1.2,5:3:33:42.43,THB:6:33:42.43:46.3.2,7:6:34.46:1.2,35:34:6.5:1.2,47:46:33:42.43,43:1:6.5:34.46| Show InChI InChI=1S/C38H48O8/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/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-/t23-,26?,27+,33?,36-,37+,38-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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))	BDBM50442886 (CHEMBL3137741) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8] |c:13,TLB:32:33:42.43:46.3.2,47:46:6.5:1.2,5:3:33:42.43,THB:6:33:42.43:46.3.2,7:6:34.46:1.2,35:34:6.5:1.2,47:46:33:42.43,43:1:6.5:34.46| Show InChI InChI=1S/C38H48O8/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/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-/t23-,26?,27+,33?,36-,37+,38-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+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 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50442886 (CHEMBL3137741) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8] |c:13,TLB:32:33:42.43:46.3.2,47:46:6.5:1.2,5:3:33:42.43,THB:6:33:42.43:46.3.2,7:6:34.46:1.2,35:34:6.5:1.2,47:46:33:42.43,43:1:6.5:34.46| Show InChI InChI=1S/C38H48O8/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/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-/t23-,26?,27+,33?,36-,37+,38-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM50442886 (CHEMBL3137741) Show SMILES [H][C@@]12[#6][C@@]3([H])[#6]-[#6]4-[#6](=O)-c5c(-[#8])c6-[#6]=[#6][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14[C@@]([#6]\[#6]=[#6](\[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]3-[#8] |c:13,TLB:32:33:42.43:46.3.2,47:46:6.5:1.2,5:3:33:42.43,THB:6:33:42.43:46.3.2,7:6:34.46:1.2,35:34:6.5:1.2,47:46:33:42.43,43:1:6.5:34.46| Show InChI InChI=1S/C38H48O8/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/h10-11,13-14,16,23,26-27,33,39,41H,9,12,15,17-19H2,1-8H3,(H,42,43)/b22-13-/t23-,26?,27+,33?,36-,37+,38-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+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