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BDBM310642 US10150762, Example 3/9

SMILES: CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)CC1

InChI Key: InChIKey=MDCVSTFVJWJXBC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 310642   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310642
PNG
(US10150762, Example 3/9)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)CC1
Show InChI InChI=1S/C22H21Cl2F6N3O4S/c1-3-33(4-2)18(35)14-15(38-17(32-14)16(34)31-9-19(36)7-8-19)10-5-6-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h5-6,36-37H,3-4,7-9H2,1-2H3,(H,31,34)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10150762 (2018)


BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM310642
PNG
(US10150762, Example 3/9)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)CC1
Show InChI InChI=1S/C22H21Cl2F6N3O4S/c1-3-33(4-2)18(35)14-15(38-17(32-14)16(34)31-9-19(36)7-8-19)10-5-6-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h5-6,36-37H,3-4,7-9H2,1-2H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 19n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)


BindingDB Entry DOI: 10.7270/Q2H1343R
More data for this
Ligand-Target Pair