BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 420.5
BDBM247010
Wt: 376.4
BDBM247023
Wt: 380.5
BDBM247026
Wt: 426.4
BDBM247027
Wt: 434.5
BDBM247028
Wt: 421.5
BDBM247030
Wt: 420.5
BDBM247032
Wt: 420.5
BDBM247033
Wt: 358.4
BDBM247034
Wt: 337.0
BDBM261498
Wt: 191.2
BDBM261499
Wt: 226.0
BDBM261502
Wt: 302.1
BDBM261505
Wt: 198.0
BDBM261508
Wt: 433.3
BDBM261509
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 50 hits in this display   
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
Interleukin-17A


(Homo sapiens (human))
BDBM247010
PNG
(1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

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


(Homo sapiens (Human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247010
PNG
(1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247023
PNG
(US9701663, 6)
Show SMILES C(C1CC2CCC1N2)n1ccc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H28N4O/c1-2-10-28-23(3-1)27-15-19(13-24-27)16-4-7-22-17(11-16)8-9-26(22)14-18-12-20-5-6-21(18)25-20/h4,7-9,11,13,15,18,20-21,23,25H,1-3,5-6,10,12,14H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247023
PNG
(US9701663, 6)
Show SMILES C(C1CC2CCC1N2)n1ccc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H28N4O/c1-2-10-28-23(3-1)27-15-19(13-24-27)16-4-7-22-17(11-16)8-9-26(22)14-18-12-20-5-6-21(18)25-20/h4,7-9,11,13,15,18,20-21,23,25H,1-3,5-6,10,12,14H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247023
PNG
(US9701663, 6)
Show SMILES C(C1CC2CCC1N2)n1ccc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H28N4O/c1-2-10-28-23(3-1)27-15-19(13-24-27)16-4-7-22-17(11-16)8-9-26(22)14-18-12-20-5-6-21(18)25-20/h4,7-9,11,13,15,18,20-21,23,25H,1-3,5-6,10,12,14H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247026
PNG
(US9701663, 7)
Show SMILES C(C1CCNCC1)N1CCCc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247026
PNG
(US9701663, 7)
Show SMILES C(C1CCNCC1)N1CCCc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247026
PNG
(US9701663, 7)
Show SMILES C(C1CCNCC1)N1CCCc2cc(ccc12)-c1cnn(c1)C1CCCCO1
Show InChI InChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247027
PNG
(US9701663, 8)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C19H21F3N4O2S/c20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247027
PNG
(US9701663, 8)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C19H21F3N4O2S/c20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247027
PNG
(US9701663, 8)
Show SMILES FC(F)(F)CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C19H21F3N4O2S/c20-19(21,22)13-29(27,28)26-7-3-14(4-8-26)12-25-6-5-16-9-15(1-2-18(16)25)17-10-23-24-11-17/h1-2,5-6,9-11,14H,3-4,7-8,12-13H2,(H,23,24)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247028
PNG
(1-((5,5-dimethyl-1-(phenylsulfonyl)pyrrolidin-3-yl...)
Show SMILES CC1(C)CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H26N4O2S/c1-24(2)13-18(17-28(24)31(29,30)22-6-4-3-5-7-22)16-27-11-10-20-12-19(8-9-23(20)27)21-14-25-26-15-21/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247028
PNG
(1-((5,5-dimethyl-1-(phenylsulfonyl)pyrrolidin-3-yl...)
Show SMILES CC1(C)CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H26N4O2S/c1-24(2)13-18(17-28(24)31(29,30)22-6-4-3-5-7-22)16-27-11-10-20-12-19(8-9-23(20)27)21-14-25-26-15-21/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247028
PNG
(1-((5,5-dimethyl-1-(phenylsulfonyl)pyrrolidin-3-yl...)
Show SMILES CC1(C)CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H26N4O2S/c1-24(2)13-18(17-28(24)31(29,30)22-6-4-3-5-7-22)16-27-11-10-20-12-19(8-9-23(20)27)21-14-25-26-15-21/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,25,26)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247030
PNG
(5-(1H-pyrazol-4-yl)-1-((1-(pyridin-3-ylsulfonyl)pi...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1cccnc1
Show InChI InChI=1S/C22H23N5O2S/c28-30(29,21-2-1-8-23-15-21)27-10-5-17(6-11-27)16-26-9-7-19-12-18(3-4-22(19)26)20-13-24-25-14-20/h1-4,7-9,12-15,17H,5-6,10-11,16H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247030
PNG
(5-(1H-pyrazol-4-yl)-1-((1-(pyridin-3-ylsulfonyl)pi...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1cccnc1
Show InChI InChI=1S/C22H23N5O2S/c28-30(29,21-2-1-8-23-15-21)27-10-5-17(6-11-27)16-26-9-7-19-12-18(3-4-22(19)26)20-13-24-25-14-20/h1-4,7-9,12-15,17H,5-6,10-11,16H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-22


(Homo sapiens (human))
BDBM247030
PNG
(5-(1H-pyrazol-4-yl)-1-((1-(pyridin-3-ylsulfonyl)pi...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1cccnc1
Show InChI InChI=1S/C22H23N5O2S/c28-30(29,21-2-1-8-23-15-21)27-10-5-17(6-11-27)16-26-9-7-19-12-18(3-4-22(19)26)20-13-24-25-14-20/h1-4,7-9,12-15,17H,5-6,10-11,16H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247030
PNG
(5-(1H-pyrazol-4-yl)-1-((1-(pyridin-3-ylsulfonyl)pi...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1cccnc1
Show InChI InChI=1S/C22H23N5O2S/c28-30(29,21-2-1-8-23-15-21)27-10-5-17(6-11-27)16-26-9-7-19-12-18(3-4-22(19)26)20-13-24-25-14-20/h1-4,7-9,12-15,17H,5-6,10-11,16H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247032
PNG
(US9701663, 47 | rac.-cis-1-((-5-methyl-1-(phenylsu...)
Show SMILES C[C@@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247032
PNG
(US9701663, 47 | rac.-cis-1-((-5-methyl-1-(phenylsu...)
Show SMILES C[C@@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247032
PNG
(US9701663, 47 | rac.-cis-1-((-5-methyl-1-(phenylsu...)
Show SMILES C[C@@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m1/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247033
PNG
(US9701663, 48 | rac.-trans-1-((-5-methyl-1-(phenyl...)
Show SMILES C[C@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247033
PNG
(US9701663, 48 | rac.-trans-1-((-5-methyl-1-(phenyl...)
Show SMILES C[C@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247033
PNG
(US9701663, 48 | rac.-trans-1-((-5-methyl-1-(phenyl...)
Show SMILES C[C@H]1CC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-17-11-18(16-27(17)30(28,29)22-5-3-2-4-6-22)15-26-10-9-20-12-19(7-8-23(20)26)21-13-24-25-14-21/h2-10,12-14,17-18H,11,15-16H2,1H3,(H,24,25)/t17-,18?/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM247034
PNG
(1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C18H22N4O2S/c1-25(23,24)22-8-4-14(5-9-22)13-21-7-6-16-10-15(2-3-18(16)21)17-11-19-20-12-17/h2-3,6-7,10-12,14H,4-5,8-9,13H2,1H3,(H,19,20)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Peripheral blood mononuclear cells (PBMCs) were sourced from freshly prepared leukocyte enriched plasma (buffy coat) from healthy donors (New York Bl...


US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247034
PNG
(1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C18H22N4O2S/c1-25(23,24)22-8-4-14(5-9-22)13-21-7-6-16-10-15(2-3-18(16)21)17-11-19-20-12-17/h2-3,6-7,10-12,14H,4-5,8-9,13H2,1H3,(H,19,20)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-22


(Homo sapiens (human))
BDBM247034
PNG
(1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C18H22N4O2S/c1-25(23,24)22-8-4-14(5-9-22)13-21-7-6-16-10-15(2-3-18(16)21)17-11-19-20-12-17/h2-3,6-7,10-12,14H,4-5,8-9,13H2,1H3,(H,19,20)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-21


(Homo sapiens (human))
BDBM247034
PNG
(1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES CS(=O)(=O)N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1
Show InChI InChI=1S/C18H22N4O2S/c1-25(23,24)22-8-4-14(5-9-22)13-21-7-6-16-10-15(2-3-18(16)21)17-11-19-20-12-17/h2-3,6-7,10-12,14H,4-5,8-9,13H2,1H3,(H,19,20)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261502
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261502
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261505
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc(NC(=O)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H12BrNO/c16-13-7-9-14(10-8-13)17-15(18)11-6-12-4-2-1-3-5-12/h1-11H,(H,17,18)/b11-6+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261508
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NCCc2c1
Show InChI InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261508
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NCCc2c1
Show InChI InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261508
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NCCc2c1
Show InChI InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17A


(Homo sapiens (human))
BDBM261509
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCC(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)10-27-8-7-13-9-14(17(29)11-28)3-6-16(13)27/h1-6,9,28,30H,7-8,10-11H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM261509
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCC(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)10-27-8-7-13-9-14(17(29)11-28)3-6-16(13)27/h1-6,9,28,30H,7-8,10-11H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-22 receptor subunit alpha-2


(Homo sapiens (human))
BDBM261509
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCC(=O)c1ccc2N(Cc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H17F6NO3/c21-19(22,23)18(30,20(24,25)26)15-4-1-12(2-5-15)10-27-8-7-13-9-14(17(29)11-28)3-6-16(13)27/h1-6,9,28,30H,7-8,10-11H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Human CD4+ T cells were differentiated to TH17 cells as described in the presence or absence of various concentrations of compounds in a final concen...


US Patent US9708268 (2017)

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


(Homo sapiens (Human))
BDBM261498
PNG
(Preparation of 2-(4-(bromomethyl)phenyl)-1,1,1,3,3...)
Show SMILES OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7BrF6O/c11-5-6-1-3-7(4-2-6)8(18,9(12,13)14)10(15,16)17/h1-4,18H,5H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


US Patent US9708268 (2017)

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


(Homo sapiens (Human))
BDBM261499
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES O=COCc1ccc2NCCCc2c1
Show InChI InChI=1S/C11H13NO2/c13-8-14-7-9-3-4-11-10(6-9)2-1-5-12-11/h3-4,6,8,12H,1-2,5,7H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


US Patent US9708268 (2017)

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


(Homo sapiens (Human))
BDBM261502
PNG
(Preparation of 1-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES Brc1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2-3,5H,1,4H2,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent


Assay Description
Compound binding to the human RORγ LBD was assessed using the Human RORγ Assay System (INDIGO Biosciences Inc.) as per manufacturer's i...


US Patent US9708268 (2017)

More data for this
Ligand-Target Pair
Interleukin-17F


(Homo sapiens (human))
BDBM247010
PNG
(1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-5-(1H...)
Show SMILES O=S(=O)(N1CCC(Cn2ccc3cc(ccc23)-c2cn[nH]c2)CC1)c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c28-30(29,22-4-2-1-3-5-22)27-12-8-18(9-13-27)17-26-11-10-20-14-19(6-7-23(20)26)21-15-24-25-16-21/h1-7,10-11,14-16,18H,8-9,12-13,17H2,(H,24,25)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1.00E+4n/an/an/an/an/an/a



INNOV17 LLC

US Patent




US Patent US9701663 (2017)

More data for this
Ligand-Target Pair