Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier organic anion transporter family member 1B1' and Ligand = 'BDBM50030493' 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 |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50030493
(CHEMBL3344501 | US9566312, Compound 2.17.4)Show SMILES [H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r| Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrate |
J Med Chem 57: 8503-16 (2014)
Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z |
More data for this Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50030493
(CHEMBL3344501 | US9566312, Compound 2.17.4)Show SMILES [H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C |r| Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of OATP1B1 (unknown origin) expressed in CHO cells using 8-fluorescein-cAMP substrate by fluorescent photometry |
J Med Chem 57: 8503-16 (2014)
Article DOI: 10.1021/jm500862r BindingDB Entry DOI: 10.7270/Q2HM5B1Z |
More data for this Ligand-Target Pair | |