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Patent code US10383850

Compile Data Set for Download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410768
PNG
(4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]i...)
Show SMILES OC(=O)c1ccc(cc1O)-n1cc(Cc2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H15ClF3NO3/c24-19-6-3-5-18(23(25,26)27)17(19)10-13-12-28(20-7-2-1-4-15(13)20)14-8-9-16(22(30)31)21(29)11-14/h1-9,11-12,29H,10H2,(H,30,31)
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n/an/a 19n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410764
PNG
(US10383850, Compound 2 | acid )
Show SMILES OC(=O)c1ccc(cc1)-n1cc(Cc2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H15ClF3NO2/c24-20-6-3-5-19(23(25,26)27)18(20)12-15-13-28(21-7-2-1-4-17(15)21)16-10-8-14(9-11-16)22(29)30/h1-11,13H,12H2,(H,29,30)
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n/an/a 71.8n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410784
PNG
(6-[3-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-...)
Show SMILES OC(=O)c1ccc(nc1)-n1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C21H11ClF3N3O3/c22-14-6-3-5-13(21(23,24)25)17(14)19(29)18-12-4-1-2-7-15(12)28(27-18)16-9-8-11(10-26-16)20(30)31/h1-10H,(H,30,31)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410786
PNG
(4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-...)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(Cc2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H14ClF4NO2/c24-19-5-2-4-18(23(26,27)28)17(19)11-14-12-29(21-16(14)3-1-6-20(21)25)15-9-7-13(8-10-15)22(30)31/h1-10,12H,11H2,(H,30,31)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410763
PNG
(US10383850, Compound 1)
Show SMILES Cc1cccc(c1Cc1cn(-c2ccc(cc2)C(O)=O)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-5-4-7-21(24(25,26)27)20(15)13-17-14-28(22-8-3-2-6-19(17)22)18-11-9-16(10-12-18)23(29)30/h2-12,14H,13H2,1H3,(H,29,30)
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n/an/a 196n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410770
PNG
(US10383850, Compound 8)
Show SMILES OC(=O)c1ccc(nc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-2-4-14(22(25,26)27)18(15)20(30)13-10-29(19-12(13)3-1-6-16(19)24)17-8-7-11(9-28-17)21(31)32/h1-10H,(H,31,32)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410774
PNG
(US10383850, Compound 12)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2OC(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H12F5NO4/c24-16-4-2-6-18(33-23(26,27)28)19(16)21(30)15-11-29(20-14(15)3-1-5-17(20)25)13-9-7-12(8-10-13)22(31)32/h1-11H,(H,31,32)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410778
PNG
(6-[3-(2,6-dichlorobenzoyl)indazol-1-yl]pyridine-3-...)
Show SMILES OC(=O)c1ccc(nc1)-n1nc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H11Cl2N3O3/c21-13-5-3-6-14(22)17(13)19(26)18-12-4-1-2-7-15(12)25(24-18)16-9-8-11(10-23-16)20(27)28/h1-10H,(H,27,28)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410775
PNG
(US10383850, Compound 13)
Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(F)cccc2OC(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C23H11F6NO4/c24-14-4-2-6-18(34-23(27,28)29)19(14)21(31)13-10-30(20-12(13)3-1-5-15(20)25)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410767
PNG
(US10383850, Compound 5)
Show SMILES COc1cccc(F)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2c(F)cccc12
Show InChI InChI=1S/C23H15F2NO4/c1-30-19-7-3-5-17(24)20(19)22(27)16-12-26(21-15(16)4-2-6-18(21)25)14-10-8-13(9-11-14)23(28)29/h2-12H,1H3,(H,28,29)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410776
PNG
(US10383850, Compound 14)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(F)cccc2OC(F)(F)F)c2ccccc12
Show InChI InChI=1S/C23H13F4NO4/c24-17-5-3-7-19(32-23(25,26)27)20(17)21(29)16-12-28(18-6-2-1-4-15(16)18)14-10-8-13(9-11-14)22(30)31/h1-12H,(H,30,31)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410769
PNG
(US10383850, Compound 7)
Show SMILES Cc1cccc2c(cn(-c3ccc(cc3)C(O)=O)c12)C(=O)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1S/C24H15ClF3NO3/c1-13-4-2-5-16-17(22(30)20-18(24(26,27)28)6-3-7-19(20)25)12-29(21(13)16)15-10-8-14(9-11-15)23(31)32/h2-12H,1H3,(H,31,32)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410772
PNG
(4-[3-(2-fluoro-6-methoxy-benzoyl)indazol-1-yl]benz...)
Show SMILES COc1cccc(F)c1C(=O)c1nn(-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C22H15FN2O4/c1-29-18-8-4-6-16(23)19(18)21(26)20-15-5-2-3-7-17(15)25(24-20)14-11-9-13(10-12-14)22(27)28/h2-12H,1H3,(H,27,28)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410780
PNG
(6-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-...)
Show SMILES OC(=O)c1ccc(nc1)-n1cc(Cc2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12
Show InChI InChI=1S/C22H13ClF4N2O2/c23-17-5-2-4-16(22(25,26)27)15(17)9-13-11-29(20-14(13)3-1-6-18(20)24)19-8-7-12(10-28-19)21(30)31/h1-8,10-11H,9H2,(H,30,31)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410779
PNG
(6-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]i...)
Show SMILES OC(=O)c1ccc(nc1)-n1cc(Cc2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C22H14ClF3N2O2/c23-18-6-3-5-17(22(24,25)26)16(18)10-14-12-28(19-7-2-1-4-15(14)19)20-9-8-13(11-27-20)21(29)30/h1-9,11-12H,10H2,(H,29,30)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410766
PNG
(4-[3-(2-fluoro-6-methoxy-benzoyl)indol-1-yl]benzoi...)
Show SMILES COc1cccc(F)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C23H16FNO4/c1-29-20-8-4-6-18(24)21(20)22(26)17-13-25(19-7-3-2-5-16(17)19)15-11-9-14(10-12-15)23(27)28/h2-13H,1H3,(H,27,28)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410781
PNG
(6-[3-[2-chloro-6-(trifluoromethyl)benzoyl]indol-1-...)
Show SMILES OC(=O)c1ccc(nc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C22H12ClF3N2O3/c23-16-6-3-5-15(22(24,25)26)19(16)20(29)14-11-28(17-7-2-1-4-13(14)17)18-9-8-12(10-27-18)21(30)31/h1-11H,(H,30,31)
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ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410773
PNG
(US10383850, Compound 11)
Show SMILES Cc1cccc2c(cn(-c3ccc(cc3)C(O)=O)c12)C(=O)c1c(F)cccc1C(F)(F)F
Show InChI InChI=1S/C24H15F4NO3/c1-13-4-2-5-16-17(22(30)20-18(24(26,27)28)6-3-7-19(20)25)12-29(21(13)16)15-10-8-14(9-11-15)23(31)32/h2-12H,1H3,(H,31,32)
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n/an/a 1.24E+3n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410782
PNG
(6-[3-[2-chloro-6-(trifluoromethyl)benzoyl]pyrrolo[...)
Show SMILES OC(=O)c1ccc(nc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C21H11ClF3N3O3/c22-15-5-1-4-14(21(23,24)25)17(15)18(29)13-10-28(19-12(13)3-2-8-26-19)16-7-6-11(9-27-16)20(30)31/h1-10H,(H,30,31)
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n/an/a 1.26E+3n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410771
PNG
(US10383850, Compound 9)
Show SMILES Cc1cccc2c(cn(-c3ccc(cc3)C(O)=O)c12)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H15Cl2NO3/c1-13-4-2-5-16-17(22(27)20-18(24)6-3-7-19(20)25)12-26(21(13)16)15-10-8-14(9-11-15)23(28)29/h2-12H,1H3,(H,28,29)
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n/an/a 1.35E+3n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410765
PNG
(US10383850, Compound 3)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cncnc12
Show InChI InChI=1S/C21H11ClF3N3O3/c22-16-3-1-2-15(21(23,24)25)17(16)18(29)14-9-28(19-13(14)8-26-10-27-19)12-6-4-11(5-7-12)20(30)31/h1-10H,(H,30,31)
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n/an/a 1.37E+3n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410783
PNG
(5-[3-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-...)
Show SMILES OC(=O)c1ccc(cn1)-n1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C21H11ClF3N3O3/c22-14-6-3-5-13(21(23,24)25)17(14)19(29)18-12-4-1-2-7-16(12)28(27-18)11-8-9-15(20(30)31)26-10-11/h1-10H,(H,30,31)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+4n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))		BDBM410777
PNG
(5-[3-(2,6-dichlorobenzoyl)indazol-1-yl]pyridine-2-...)
Show SMILES OC(=O)c1ccc(cn1)-n1nc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C20H11Cl2N3O3/c21-13-5-3-6-14(22)17(13)19(26)18-12-4-1-2-7-16(12)25(24-18)11-8-9-15(20(27)28)23-10-11/h1-10H,(H,27,28)
PDB

Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58E+4n/an/an/an/an/an/a



ORCA PHARMACEUTICALS LIMITED

US Patent


Assay Description
The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microliters DMSO were dispensed to...

US Patent US10383850 (2019)


BindingDB Entry DOI: 10.7270/Q2SN0CBB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%