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Compile Data Set for Download or QSAR

Found 1212 hits Enz. Inhib. hit(s) with Target = 'RAR-related orphan receptor C (RORc)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50445876
PNG
(CHEMBL3105692)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50445875
PNG
(CHEMBL3105671)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H21ClFNO4S2/c1-2-36(33,34)22-11-9-17(10-12-22)13-24(31)30-25-16-23(18-5-3-7-20(28)14-18)27(35-25)26(32)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,30,31)
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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51n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to RORc (unknown origin) by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50005410
PNG
(CHEMBL139197 | CHEMBL2137199)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
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105n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to RORc (unknown origin) by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50444338
PNG
(CHEMBL3094388)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)
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111n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to RORc-LBD (unknown origin) by radioligand binding assay


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50445878
PNG
(CHEMBL3105815)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(cs2)-c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C19H16Cl2N2O3S2/c1-2-28(25,26)14-6-3-12(4-7-14)9-18(24)23-19-22-17(11-27-19)15-10-13(20)5-8-16(15)21/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044151
PNG
(CHEMBL3314028)
Show SMILES Cc1noc(C)c1CN(CC(O)=O)c1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2)cc1
Show InChI InChI=1/C30H31N3O4/c1-20-9-13-25(14-10-20)30(24-7-5-4-6-8-24)31-28(34)17-23-11-15-26(16-12-23)33(19-29(35)36)18-27-21(2)32-37-22(27)3/h4-16,30H,17-19H2,1-3H3,(H,31,34)(H,35,36)
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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044152
PNG
(CHEMBL3314027)
Show SMILES Cc1ccc([C@@H](NC(=O)Cc2ccc3oc(cc3c2)C(N2CC(N)C2)c2ccncc2)c2ccccc2)c(C)c1
Show InChI InChI=1/C34H34N4O2/c1-22-8-10-29(23(2)16-22)33(25-6-4-3-5-7-25)37-32(39)18-24-9-11-30-27(17-24)19-31(40-30)34(38-20-28(35)21-38)26-12-14-36-15-13-26/h3-17,19,28,33-34H,18,20-21,35H2,1-2H3,(H,37,39)/t33-,34?/s2
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044153
PNG
(CHEMBL3314026)
Show SMILES CC(C)CCC(NC(=O)Cc1ccc2oc(cc2c1)C(O)c1c(C)noc1C)c1ncc(C)cc1C
Show InChI InChI=1/C29H35N3O4/c1-16(2)7-9-23(28-18(4)11-17(3)15-30-28)31-26(33)13-21-8-10-24-22(12-21)14-25(35-24)29(34)27-19(5)32-36-20(27)6/h8,10-12,14-16,23,29,34H,7,9,13H2,1-6H3,(H,31,33)
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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044154
PNG
(CHEMBL3314025)
Show SMILES Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccc(Cl)cc2)c2ccc(Cl)cc2C)cc1
Show InChI InChI=1/C28H26Cl2N2O3/c1-17-14-23(30)10-13-25(17)28(21-6-8-22(29)9-7-21)31-27(33)15-20-4-11-24(12-5-20)34-16-26-18(2)32-35-19(26)3/h4-14,28H,15-16H2,1-3H3,(H,31,33)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044156
PNG
(CHEMBL3314023)
Show SMILES Cc1ccc(C(NC(=O)Cc2ccc(OCC(O)c3cccnc3C)cc2)c2ccccc2)c(C)c1
Show InChI InChI=1/C31H32N2O3/c1-21-11-16-27(22(2)18-21)31(25-8-5-4-6-9-25)33-30(35)19-24-12-14-26(15-13-24)36-20-29(34)28-10-7-17-32-23(28)3/h4-18,29,31,34H,19-20H2,1-3H3,(H,33,35)
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n/an/a 1n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50058935
PNG
(CHEMBL3358455)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1/C27H23ClF3N5O2S/c1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-13,37H,11H2,1-4H3
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n/an/a 2.5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Modulator activity at GAL4-tagged human RORgammat ligand binding domain expressed HEK293T cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105928
PNG
(CHEMBL3598047)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/i4D3
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n/an/a 3n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50108775
PNG
(CHEMBL3596638)
Show SMILES CCN(CC)c1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C25H24Cl2FN3O2/c1-4-31(5-2)22-14-15(17-13-16(24(29)32)9-11-18(17)26)10-12-21(22)30(3)25(33)23-19(27)7-6-8-20(23)28/h6-14H,4-5H2,1-3H3,(H2,29,32)
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Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...


Bioorg Med Chem Lett 25: 2991-7 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50108782
PNG
(CHEMBL3596639)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C26H24Cl2FN3O2/c1-31(26(34)24-20(28)6-5-7-21(24)29)22-11-9-16(15-23(22)32-12-3-2-4-13-32)18-14-17(25(30)33)8-10-19(18)27/h5-11,14-15H,2-4,12-13H2,1H3,(H2,30,33)
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n/an/a 3n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...


Bioorg Med Chem Lett 25: 2991-7 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50446290
PNG
(CHEMBL3109228)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccccc4)ccc3c2)cc1
Show InChI InChI=1S/C26H26N2O3S/c1-2-32(30,31)24-11-8-21(9-12-24)18-26(29)27-23-10-13-25-22(19-23)15-17-28(25)16-14-20-6-4-3-5-7-20/h3-13,15,17,19H,2,14,16,18H2,1H3,(H,27,29)
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TBA

Assay Description
Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106011
PNG
(CHEMBL3598077)
Show SMILES CC(C)c1nc(NC(C)=O)sc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34)
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n/an/a 3.20n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112365
PNG
(CHEMBL3609409)
Show SMILES NS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C21H15Cl2F3N2O4S/c22-16-10-13(28-19(29)9-12-5-7-14(8-6-12)33(27,30)31)11-17(23)20(16)15-3-1-2-4-18(15)32-21(24,25)26/h1-8,10-11H,9H2,(H,28,29)(H2,27,30,31)
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n/an/a 3.20n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044254
PNG
(CHEMBL3314017)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)F)cc1
Show InChI InChI=1S/C23H19Cl2F2NO4S/c1-2-33(30,31)16-9-7-14(8-10-16)11-21(29)28-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)32-23(26)27/h3-10,12-13,23H,2,11H2,1H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044255
PNG
(CHEMBL3314016)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C23H19ClF3NO4S/c1-2-33(30,31)17-10-7-15(8-11-17)13-22(29)28-16-9-12-18(20(24)14-16)19-5-3-4-6-21(19)32-23(25,26)27/h3-12,14H,2,13H2,1H3,(H,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105992
PNG
(CHEMBL3598061)
Show SMILES CC(C)n1nc(NC(=O)CO)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36)/i3D3
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n/an/a 3.30n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105981
PNG
(CHEMBL3598052)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(Cl)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29Cl2N5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)/i4D3
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n/an/a 3.40n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105930
PNG
(CHEMBL3598049)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C27H31ClFN5O2/c1-17(2)34-23(16-25(31-34)30-18(3)35)19-11-12-22(24(15-19)33-13-6-5-7-14-33)32(4)27(36)26-20(28)9-8-10-21(26)29/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,31,35)/i4D3
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Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112363
PNG
(CHEMBL3609411)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccc(F)cc2C#N)cc1
Show InChI InChI=1S/C23H17Cl2FN2O3S/c1-2-32(30,31)18-6-3-14(4-7-18)9-22(29)28-17-11-20(24)23(21(25)12-17)19-8-5-16(26)10-15(19)13-27/h3-8,10-12H,2,9H2,1H3,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112367
PNG
(CHEMBL3609407)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C23H18Cl2F3NO4S/c1-2-34(31,32)16-9-7-14(8-10-16)11-21(30)29-15-12-18(24)22(19(25)13-15)17-5-3-4-6-20(17)33-23(26,27)28/h3-10,12-13H,2,11H2,1H3,(H,29,30)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112368
PNG
(CHEMBL3609406)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C24H21ClF3NO4S/c1-3-34(31,32)18-10-8-16(9-11-18)13-22(30)29-17-12-15(2)23(20(25)14-17)19-6-4-5-7-21(19)33-24(26,27)28/h4-12,14H,3,13H2,1-2H3,(H,29,30)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112370
PNG
(CHEMBL3609404)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(c2)-c2cncnc2)cc1
Show InChI InChI=1S/C27H22F3N3O4S/c1-2-38(35,36)21-10-7-18(8-11-21)13-26(34)33-20-9-12-22(24(14-20)19-15-31-17-32-16-19)23-5-3-4-6-25(23)37-27(28,29)30/h3-12,14-17H,2,13H2,1H3,(H,33,34)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM197904
PNG
(US9216988, 174)
Show SMILES CC(C)CN(Cc1ccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C26H36N2O5S2/c1-20(2)17-27(35(31,32)19-22-7-5-4-6-8-22)18-21-9-13-25(14-10-21)33-26-15-23-11-12-24(16-26)28(23)34(3,29)30/h4-10,13-14,20,23-24,26H,11-12,15-19H2,1-3H3/t23-,24+,26+
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n/an/a 4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...


US Patent US9216988 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50446284
PNG
(CHEMBL3109234)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4cccc(c4)C(F)(F)F)ccc3c2)cc1
Show InChI InChI=1S/C27H25F3N2O3S/c1-2-36(34,35)24-9-6-20(7-10-24)17-26(33)31-23-8-11-25-21(18-23)13-15-32(25)14-12-19-4-3-5-22(16-19)27(28,29)30/h3-11,13,15-16,18H,2,12,14,17H2,1H3,(H,31,33)
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50446288
PNG
(CHEMBL3109230)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(Cl)cc4)ccc3c2)cc1
Show InChI InChI=1S/C26H25ClN2O3S/c1-2-33(31,32)24-10-5-20(6-11-24)17-26(30)28-23-9-12-25-21(18-23)14-16-29(25)15-13-19-3-7-22(27)8-4-19/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,28,30)
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TBA

Assay Description
Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50132477
PNG
(CHEMBL3632716)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC1COC1
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Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 958-60 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105982
PNG
(CHEMBL3598053)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(C)cccc2F)c(c1)N1CC2CC2C1
Show InChI InChI=1/C28H32FN5O2/c1-16(2)34-24(13-26(31-34)30-18(4)35)19-9-10-23(25(12-19)33-14-20-11-21(20)15-33)32(5)28(36)27-17(3)7-6-8-22(27)29/h6-10,12-13,16,20-21H,11,14-15H2,1-5H3,(H,30,31,35)/i5D3
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Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105988
PNG
(CHEMBL3598056)
Show SMILES CCC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(c2)N2CC3CC3C2)n(n1)C(C)C
Show InChI InChI=1/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36)/i4D3
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n/an/a 4.90n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105985
PNG
(CHEMBL3598055)
Show SMILES CC(C)n1nc(NC=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C26H27ClFN5O2/c1-15(2)33-22(11-24(30-33)29-14-34)16-7-8-21(23(10-16)32-12-17-9-18(17)13-32)31(3)26(35)25-19(27)5-4-6-20(25)28/h4-8,10-11,14-15,17-18H,9,12-13H2,1-3H3,(H,29,30,34)/i3D3
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Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105933
PNG
(CHEMBL3598051)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)
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Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105990
PNG
(CHEMBL3598057)
Show SMILES CC(C)n1nc(NC(=O)C2CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1/C29H31ClFN5O2/c1-16(2)36-24(13-26(33-36)32-28(37)17-7-8-17)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(3)29(38)27-21(30)5-4-6-22(27)31/h4-6,9-10,12-13,16-17,19-20H,7-8,11,14-15H2,1-3H3,(H,32,33,37)/i3D3
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Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112366
PNG
(CHEMBL3609408)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C22H16Cl2F3NO4S/c1-33(30,31)15-8-6-13(7-9-15)10-20(29)28-14-11-17(23)21(18(24)12-14)16-4-2-3-5-19(16)32-22(25,26)27/h2-9,11-12H,10H2,1H3,(H,28,29)
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Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112371
PNG
(CHEMBL3609403)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(c2)-c2ccno2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O5S/c1-2-37(33,34)19-10-7-17(8-11-19)15-25(32)31-18-9-12-20(22(16-18)24-13-14-30-36-24)21-5-3-4-6-23(21)35-26(27,28)29/h3-14,16H,2,15H2,1H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112586
PNG
(CHEMBL3609399)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(C)c2)-c2ccccc2OC(F)(F)F)cc1
Show InChI InChI=1S/C24H22F3NO4S/c1-3-33(30,31)19-11-8-17(9-12-19)15-23(29)28-18-10-13-20(16(2)14-18)21-6-4-5-7-22(21)32-24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50112601
PNG
(CHEMBL3609391)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(Cl)c2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)17-10-7-15(8-11-17)13-22(26)25-16-9-12-19(21(24)14-16)18-5-3-4-6-20(18)23/h3-12,14H,2,13H2,1H3,(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay


ACS Med Chem Lett 6: 787-92 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50446291
PNG
(CHEMBL3109227)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CCc4ccc(cc4)C(F)(F)F)ccc3c2)cc1
Show InChI InChI=1S/C27H25F3N2O3S/c1-2-36(34,35)24-10-5-20(6-11-24)17-26(33)31-23-9-12-25-21(18-23)14-16-32(25)15-13-19-3-7-22(8-4-19)27(28,29)30/h3-12,14,16,18H,2,13,15,17H2,1H3,(H,31,33)
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at biotinylated human RORgammat LBD expressed in Escherichia coli BL21 assessed as inhibition of SRC1 recruitment after 1 hr...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50132478
PNG
(CHEMBL3634609)
Show SMILES Fc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)cc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O
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n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 958-60 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106002
PNG
(CHEMBL3598070)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1
Show InChI InChI=1/C29H31ClFN5O2/c1-17(37)32-27-14-25(36(33-27)21-6-3-4-7-21)18-10-11-24(26(13-18)35-15-19-12-20(19)16-35)34(2)29(38)28-22(30)8-5-9-23(28)31/h5,8-11,13-14,19-21H,3-4,6-7,12,15-16H2,1-2H3,(H,32,33,37)/i2D3
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n/an/a 5.10n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50106003
PNG
(CHEMBL3598071)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1
Show InChI InChI=1/C28H29ClFN5O2/c1-16(36)31-26-13-24(35(32-26)20-5-3-6-20)17-9-10-23(25(12-17)34-14-18-11-19(18)15-34)33(2)28(37)27-21(29)7-4-8-22(27)30/h4,7-10,12-13,18-20H,3,5-6,11,14-15H2,1-2H3,(H,31,32,36)/i2D3
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n/an/a 5.20n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50105995
PNG
(CHEMBL3598063)
Show SMILES CNC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(c2)N2CC3CC3C2)n(n1)C(C)C
Show InChI InChI=1/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37)/i4D3
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n/an/a 6n/an/an/an/an/an/a



Biogen

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...


Bioorg Med Chem Lett 25: 2985-90 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090104
PNG
(CHEMBL3581543 | US9216988, 97)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2
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n/an/a 6n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...


Citation and Details
More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM197886
PNG
(US9216988, 155)
Show SMILES CC(C)CN(Cc1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H35N3O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)25-24-13-15-26(16-14-24)32(3,28)29/h4-12,20,24-25H,13-19H2,1-3H3
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US Patent
n/an/a 6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...


US Patent US9216988 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50044247
PNG
(CHEMBL3314036 | US9216988, 159)
Show SMILES CC(C)CN(Cc1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H34N2O5S2/c1-20(2)17-26(33(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)31-24-13-15-25(16-14-24)32(3,27)28/h4-12,20,24H,13-19H2,1-3H3
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US Patent
n/an/a 6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...


US Patent US9216988 (2015)

More data for this
Ligand-Target Pair
RAR-related orphan receptor C (RORc)


(Homo sapiens (Human))
BDBM50090104
PNG
(CHEMBL3581543 | US9216988, 97)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1
Show InChI InChI=1S/C20H21ClFNO2/c21-17-5-3-16(4-6-17)20(25)10-13-23(14-11-20)12-9-19(24)15-1-7-18(22)8-2-15/h1-8,25H,9-14H2
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n/an/a 6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...


US Patent US9216988 (2015)

More data for this
Ligand-Target Pair
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