Found 2 hits for monomerid = 347034 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 |
Tryptophan 2,3-dioxygenase
(Homo sapiens (Human)) | BDBM347034
(US10202388, Compound 45A-1)Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2 |r,wD:22.26,1.0,TLB:19:20:36:17.35.18,19:18:36:22.20.21,1:16:22:35.19.18,THB:17:16:22:35.19.18,17:18:22:16.36.21,23:22:36:17.35.18,(-2.55,-8.1,;-2.55,-6.56,;-3.89,-5.79,;-5.22,-6.56,;-6.37,-5.53,;-7.7,-6.3,;-9.03,-5.53,;-9.03,-3.99,;-7.7,-3.22,;-6.37,-3.99,;-5.03,-3.22,;-7.38,-7.81,;-8.01,-9.21,;-6.86,-10.24,;-5.53,-9.47,;-5.85,-7.97,;-1.22,-5.79,;-1.22,-4.25,;-.13,-3.16,;1.66,-3.49,;1.66,-5.03,;.32,-5.79,;2.75,-6.12,;4.08,-6.89,;5.17,-5.8,;4.08,-4.71,;6.26,-4.71,;6.66,-6.2,;7.75,-5.11,;9.23,-5.51,;10.32,-4.42,;9.92,-2.93,;8.44,-2.53,;7.35,-3.62,;1.21,-6.12,;1.21,-4.58,;-.13,-6.88,)| Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI DE NOVO PHARMATECH CO., LTD.
US Patent
| Assay Description The TDO2 enzymatic assay was performed by UV absorption using a recombinant TDO2 and L-Tryptophan substrate. The UV absorption signal at 321 nm is co... |
US Patent US10202388 (2019)
BindingDB Entry DOI: 10.7270/Q2JD4ZXX |
More data for this Ligand-Target Pair | |
Indoleamine 2,3-dioxygenase 1
(Homo sapiens (Human)) | BDBM347034
(US10202388, Compound 45A-1)Show SMILES O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](NS(=O)(=O)Cc1ccccc1)C(C3)C2 |r,wD:22.26,1.0,TLB:19:20:36:17.35.18,19:18:36:22.20.21,1:16:22:35.19.18,THB:17:16:22:35.19.18,17:18:22:16.36.21,23:22:36:17.35.18,(-2.55,-8.1,;-2.55,-6.56,;-3.89,-5.79,;-5.22,-6.56,;-6.37,-5.53,;-7.7,-6.3,;-9.03,-5.53,;-9.03,-3.99,;-7.7,-3.22,;-6.37,-3.99,;-5.03,-3.22,;-7.38,-7.81,;-8.01,-9.21,;-6.86,-10.24,;-5.53,-9.47,;-5.85,-7.97,;-1.22,-5.79,;-1.22,-4.25,;-.13,-3.16,;1.66,-3.49,;1.66,-5.03,;.32,-5.79,;2.75,-6.12,;4.08,-6.89,;5.17,-5.8,;4.08,-4.71,;6.26,-4.71,;6.66,-6.2,;7.75,-5.11,;9.23,-5.51,;10.32,-4.42,;9.92,-2.93,;8.44,-2.53,;7.35,-3.62,;1.21,-6.12,;1.21,-4.58,;-.13,-6.88,)| Show InChI InChI=1S/C29H32FN3O3S/c30-23-8-4-7-22-25-15-31-17-33(25)24(27(22)23)11-26(34)29-12-19-9-20(13-29)28(21(10-19)14-29)32-37(35,36)16-18-5-2-1-3-6-18/h1-8,15,17,19-21,24,26,28,32,34H,9-14,16H2/t19?,20?,21?,24?,26-,28-,29?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
SHANGHAI DE NOVO PHARMATECH CO., LTD.
US Patent
| Assay Description The compounds described in this disclosure were dissolved in 10% DMSO to predefined concentration. All of the reactions were conducted at room temper... |
US Patent US10202388 (2019)
BindingDB Entry DOI: 10.7270/Q2JD4ZXX |
More data for this Ligand-Target Pair | |