BindingDB logo
myBDB logout

Patent code US9302989

Compile Data Set for Download or QSAR

Found 1657 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
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217096
PNG
(US9302989, 391)
Show SMILES CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2c[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C30H31N5O2/c1-33-12-14-34(15-13-33)18-21-6-7-23-19-35(20-24(23)16-21)30(37)32-25-10-8-22(9-11-25)28-17-31-29(36)27-5-3-2-4-26(27)28/h2-11,16-17H,12-15,18-20H2,1H3,(H,31,36)(H,32,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.490n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217092
PNG
(US9302989, 387)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C29H28N4O2/c34-28-26-6-2-1-5-25(26)27(16-30-28)21-9-11-24(12-10-21)31-29(35)33-18-22-8-7-20(15-23(22)19-33)17-32-13-3-4-14-32/h1-2,5-12,15-16H,3-4,13-14,17-19H2,(H,30,34)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.39n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217094
PNG
(US9302989, 389)
Show SMILES CN(C)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C27H26N4O2/c1-30(2)15-18-7-8-20-16-31(17-21(20)13-18)27(33)29-22-11-9-19(10-12-22)25-14-28-26(32)24-6-4-3-5-23(24)25/h3-14H,15-17H2,1-2H3,(H,28,32)(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.74n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217103
PNG
(US9302989, 398)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCC3)cc2C1
Show InChI InChI=1S/C27H25N5O2/c33-26-24-5-2-1-4-23(24)25(29-30-26)19-8-10-22(11-9-19)28-27(34)32-16-20-7-6-18(14-21(20)17-32)15-31-12-3-13-31/h1-2,4-11,14H,3,12-13,15-17H2,(H,28,34)(H,30,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217085
PNG
(US9302989, 380)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C28H27N5O2/c34-27-25-6-2-1-5-24(25)26(30-31-27)20-9-11-23(12-10-20)29-28(35)33-17-21-8-7-19(15-22(21)18-33)16-32-13-3-4-14-32/h1-2,5-12,15H,3-4,13-14,16-18H2,(H,29,35)(H,31,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217083
PNG
(US9302989, 378)
Show SMILES Fc1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C23H17FN4O2/c24-19-7-3-6-18-20(19)21(26-27-22(18)29)14-8-10-17(11-9-14)25-23(30)28-12-15-4-1-2-5-16(15)13-28/h1-11H,12-13H2,(H,25,30)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.37n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217084
PNG
(US9302989, 379)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C23H17FN4O2/c24-17-8-5-15-12-28(13-16(15)11-17)23(30)25-18-9-6-14(7-10-18)21-19-3-1-2-4-20(19)22(29)27-26-21/h1-11H,12-13H2,(H,25,30)(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217095
PNG
(US9302989, 390)
Show SMILES CCN(CC)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C29H30N4O2/c1-3-32(4-2)17-20-9-10-22-18-33(19-23(22)15-20)29(35)31-24-13-11-21(12-14-24)27-16-30-28(34)26-8-6-5-7-25(26)27/h5-16H,3-4,17-19H2,1-2H3,(H,30,34)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.45n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217324
PNG
(US9302989, 549)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2cccnc2C1
Show InChI InChI=1S/C22H17N5O2/c28-21-18-6-2-1-5-17(18)20(25-26-21)14-7-9-16(10-8-14)24-22(29)27-12-15-4-3-11-23-19(15)13-27/h1-11H,12-13H2,(H,24,29)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.10n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217320
PNG
(US9302989, 374)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H18N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-12H,13-14H2,(H,24,29)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.60n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217088
PNG
(US9302989, 383)
Show SMILES CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
Show InChI InChI=1S/C29H30N6O2/c1-33-12-14-34(15-13-33)17-20-6-7-22-18-35(19-23(22)16-20)29(37)30-24-10-8-21(9-11-24)27-25-4-2-3-5-26(25)28(36)32-31-27/h2-11,16H,12-15,17-19H2,1H3,(H,30,37)(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.61n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217086
PNG
(US9302989, 381)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCOCC3)cc2C1
Show InChI InChI=1S/C29H28N4O3/c34-28-26-4-2-1-3-25(26)27(16-30-28)21-7-9-24(10-8-21)31-29(35)33-18-22-6-5-20(15-23(22)19-33)17-32-11-13-36-14-12-32/h1-10,15-16H,11-14,17-19H2,(H,30,34)(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.12n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217089
PNG
(US9302989, 384)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C25H18N4O2/c26-12-16-5-6-18-14-29(15-19(18)11-16)25(31)28-20-9-7-17(8-10-20)23-13-27-24(30)22-4-2-1-3-21(22)23/h1-11,13H,14-15H2,(H,27,30)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.24n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217321
PNG
(US9302989, 376)
Show SMILES O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C24H19N3O2/c28-23-21-8-4-3-7-20(21)22(13-25-23)16-9-11-19(12-10-16)26-24(29)27-14-17-5-1-2-6-18(17)15-27/h1-13H,14-15H2,(H,25,28)(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.26n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217087
PNG
(US9302989, 382)
Show SMILES COc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C25H21N3O3/c1-31-20-11-8-17-14-28(15-18(17)12-20)25(30)27-19-9-6-16(7-10-19)23-13-26-24(29)22-5-3-2-4-21(22)23/h2-13H,14-15H2,1H3,(H,26,29)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.14n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217090
PNG
(US9302989, 385)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C24H18ClN3O2/c25-18-8-5-16-13-28(14-17(16)11-18)24(30)27-19-9-6-15(7-10-19)22-12-26-23(29)21-4-2-1-3-20(21)22/h1-12H,13-14H2,(H,26,29)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.51n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217099
PNG
(US9302989, 394)
Show SMILES FC(F)(F)c1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccc(CN4CCCC4)cc3C2)cc1
Show InChI InChI=1S/C29H26F3N5O2/c30-29(31,32)24-5-3-4-23-25(24)26(34-35-27(23)38)19-8-10-22(11-9-19)33-28(39)37-16-20-7-6-18(14-21(20)17-37)15-36-12-1-2-13-36/h3-11,14H,1-2,12-13,15-17H2,(H,33,39)(H,35,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9.30n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217093
PNG
(US9302989, 388)
Show SMILES FC(F)(F)c1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C24H17F3N4O2/c25-24(26,27)19-7-3-6-18-20(19)21(29-30-22(18)32)14-8-10-17(11-9-14)28-23(33)31-12-15-4-1-2-5-16(15)13-31/h1-11H,12-13H2,(H,28,33)(H,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
11.2n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217323
PNG
(US9302989, 548)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccncc2C1
Show InChI InChI=1S/C22H17N5O2/c28-21-19-4-2-1-3-18(19)20(25-26-21)14-5-7-17(8-6-14)24-22(29)27-12-15-9-10-23-11-16(15)13-27/h1-11H,12-13H2,(H,24,29)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
14n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217325
PNG
(US9302989, 550)
Show SMILES O=C(NC1CCC(=CC1)c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C24H23N3O2/c28-23-21-8-4-3-7-20(21)22(13-25-23)16-9-11-19(12-10-16)26-24(29)27-14-17-5-1-2-6-18(17)15-27/h1-9,13,19H,10-12,14-15H2,(H,25,28)(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
15.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217326
PNG
(US9302989, 551)
Show SMILES O=C(NC1CCC(=CC1)c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H22N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-9,18H,10-14H2,(H,24,29)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
18.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217082
PNG
(US9302989, 377)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H22N4O2/c28-22-20-8-4-3-7-19(20)21(25-26-22)15-9-11-18(12-10-15)24-23(29)27-13-16-5-1-2-6-17(16)14-27/h1-2,5-6,9-12H,3-4,7-8,13-14H2,(H,24,29)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
19.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217105
PNG
(US9302989, 400)
Show SMILES O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2cccn12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C26H26N6O2/c33-25-23-4-3-13-32(23)24(28-29-25)19-7-9-22(10-8-19)27-26(34)31-16-20-6-5-18(14-21(20)17-31)15-30-11-1-2-12-30/h3-10,13-14H,1-2,11-12,15-17H2,(H,27,34)(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
25.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217100
PNG
(US9302989, 395)
Show SMILES CN1CCC(CC1)Oc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C29H29N5O3/c1-33-14-12-23(13-15-33)37-24-11-8-20-17-34(18-21(20)16-24)29(36)30-22-9-6-19(7-10-22)27-25-4-2-3-5-26(25)28(35)32-31-27/h2-11,16,23H,12-15,17-18H2,1H3,(H,30,36)(H,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
32.1n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217102
PNG
(US9302989, 397)
Show SMILES F[C@H]1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1
Show InChI InChI=1S/C28H26FN5O2/c29-22-11-12-33(17-22)14-18-5-6-20-15-34(16-21(20)13-18)28(36)30-23-9-7-19(8-10-23)26-24-3-1-2-4-25(24)27(35)32-31-26/h1-10,13,22H,11-12,14-17H2,(H,30,36)(H,32,35)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
138n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217322
PNG
(US9302989, 547)
Show SMILES O=C(Nc1ccc(cc1)-c1cccc2C(=O)NCc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C23H19N3O2/c27-22-20-7-3-6-19(21(20)12-24-22)15-8-10-18(11-9-15)25-23(28)26-13-16-4-1-2-5-17(16)14-26/h1-11H,12-14H2,(H,24,27)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
179n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217101
PNG
(US9302989, 396)
Show SMILES F[C@@H]1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1
Show InChI InChI=1S/C28H26FN5O2/c29-22-11-12-33(17-22)14-18-5-6-20-15-34(16-21(20)13-18)28(36)30-23-9-7-19(8-10-23)26-24-3-1-2-4-25(24)27(35)32-31-26/h1-10,13,22H,11-12,14-17H2,(H,30,36)(H,32,35)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
182n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217327
PNG
(US9302989, 552)
Show SMILES O=C(NC1CCC(=CC1)c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
Show InChI InChI=1S/C28H31N5O2/c34-27-25-6-2-1-5-24(25)26(30-31-27)20-9-11-23(12-10-20)29-28(35)33-17-21-8-7-19(15-22(21)18-33)16-32-13-3-4-14-32/h1-2,5-9,15,23H,3-4,10-14,16-18H2,(H,29,35)(H,31,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.27E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217081
PNG
(US9302989, 375)
Show SMILES O=C(Nc1ccc(cc1)-c1cncc2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C24H19N3O/c28-24(27-15-19-6-1-2-7-20(19)16-27)26-21-11-9-17(10-12-21)23-14-25-13-18-5-3-4-8-22(18)23/h1-14H,15-16H2,(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.06E+3n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase


(Homo sapiens (Human))
BDBM217091
PNG
(US9302989, 386)
Show SMILES O=C(Nc1ccc(cc1)C1=NNC(=O)Cc2ccccc12)N1Cc2ccccc2C1
Show InChI InChI=1S/C24H20N4O2/c29-22-13-17-5-3-4-8-21(17)23(27-26-22)16-9-11-20(12-10-16)25-24(30)28-14-18-6-1-2-7-19(18)15-28/h1-12H,13-15H2,(H,25,30)(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



AbbVie Inc.

US Patent


Assay Description
HTRF assay: This assay used the CisBio HTRF KinEASE kit (kit 62ST2PEZ) and the kinase reaction containing 0.2 uM biotinylated substrate peptide (S2, ...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217311
PNG
(US9302989, 1552)
Show SMILES O=C(CC1CC1)N[C@H]1CC[C@H](CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C25H30N4O2/c30-24(13-17-1-2-17)27-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28-25(31)29-15-20-11-12-26-14-21(20)16-29/h5-6,9-12,14,17-18,22H,1-4,7-8,13,15-16H2,(H,27,30)(H,28,31)/t18-,22+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.860n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217130
PNG
(US9302989, 451)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C26H30N4O2/c27-17-21-9-10-23-18-30(19-24(23)16-21)26(32)28-13-5-4-6-20-11-14-29(15-12-20)25(31)22-7-2-1-3-8-22/h1-3,7-10,16,20H,4-6,11-15,18-19H2,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.946n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217307
PNG
(US9302989, 1548)
Show SMILES CC(C)C(=O)N[C@H]1CC[C@H](CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H30N4O2/c1-16(2)23(29)26-21-7-3-17(4-8-21)18-5-9-22(10-6-18)27-24(30)28-14-19-11-12-25-13-20(19)15-28/h5-6,9-13,16-17,21H,3-4,7-8,14-15H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.973n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216715
PNG
(US9302989, 1517)
Show SMILES CC(C)(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H28N4O2/c1-24(2,3)22(29)27-12-9-18(10-13-27)17-4-6-21(7-5-17)26-23(30)28-15-19-8-11-25-14-20(19)16-28/h4-9,11,14H,10,12-13,15-16H2,1-3H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.03n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216619
PNG
(US9302989, 1281)
Show SMILES O=C(Nc1ccc(cc1)C1=CCN(CC1)C(=O)C1CCOC1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C26H26N4O3/c27-14-18-1-2-21-15-30(16-23(21)13-18)26(32)28-24-5-3-19(4-6-24)20-7-10-29(11-8-20)25(31)22-9-12-33-17-22/h1-7,13,22H,8-12,15-17H2,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.22n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217130
PNG
(US9302989, 451)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C26H30N4O2/c27-17-21-9-10-23-18-30(19-24(23)16-21)26(32)28-13-5-4-6-20-11-14-29(15-12-20)25(31)22-7-2-1-3-8-22/h1-3,7-10,16,20H,4-6,11-15,18-19H2,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.24n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216620
PNG
(US9302989, 1282)
Show SMILES O=C(Nc1ccc(cc1)C1=CCN(CC1)C(=O)C1CCOCC1)N1Cc2ccc(cc2C1)C#N
Show InChI InChI=1S/C27H28N4O3/c28-16-19-1-2-23-17-31(18-24(23)15-19)27(33)29-25-5-3-20(4-6-25)21-7-11-30(12-8-21)26(32)22-9-13-34-14-10-22/h1-7,15,22H,8-14,17-18H2,(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.34n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216698
PNG
(US9302989, 1497)
Show SMILES CCC(C)(O)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H28N4O3/c1-3-24(2,31)22(29)27-12-9-18(10-13-27)17-4-6-21(7-5-17)26-23(30)28-15-19-8-11-25-14-20(19)16-28/h4-9,11,14,31H,3,10,12-13,15-16H2,1-2H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.35n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216689
PNG
(US9302989, 1486)
Show SMILES CC(C)C(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C25H30N4O2/c1-17(2)18(3)24(30)28-12-9-20(10-13-28)19-4-6-23(7-5-19)27-25(31)29-15-21-8-11-26-14-22(21)16-29/h4-9,11,14,17-18H,10,12-13,15-16H2,1-3H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.37n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216618
PNG
(US9302989, 1019)
Show SMILES CC(C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1
Show InChI InChI=1S/C25H26N4O2/c1-17(2)24(30)28-11-9-20(10-12-28)19-5-7-23(8-6-19)27-25(31)29-15-21-4-3-18(14-26)13-22(21)16-29/h3-9,13,17H,10-12,15-16H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.44n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217112
PNG
(US9302989, 407)
Show SMILES O=C(Nc1ccc(cc1)C1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1
Show InChI InChI=1S/C27H27N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-13,21H,14-19H2,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.45n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 1:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216687
PNG
(US9302989, 1484)
Show SMILES Cc1cc(nn1C)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C25H26N6O2/c1-17-13-23(28-29(17)2)24(32)30-11-8-19(9-12-30)18-3-5-22(6-4-18)27-25(33)31-15-20-7-10-26-14-21(20)16-31/h3-8,10,13-14H,9,11-12,15-16H2,1-2H3,(H,27,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.49n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216683
PNG
(US9302989, 1479)
Show SMILES Cc1nc(co1)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H23N5O3/c1-16-26-22(15-32-16)23(30)28-10-7-18(8-11-28)17-2-4-21(5-3-17)27-24(31)29-13-19-6-9-25-12-20(19)14-29/h2-7,9,12,15H,8,10-11,13-14H2,1H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216621
PNG
(US9302989, 1283)
Show SMILES CC(C)(O)C(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1
Show InChI InChI=1S/C25H26N4O3/c1-25(2,32)23(30)28-11-9-19(10-12-28)18-5-7-22(8-6-18)27-24(31)29-15-20-4-3-17(14-26)13-21(20)16-29/h3-9,13,32H,10-12,15-16H2,1-2H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.51n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216700
PNG
(US9302989, 1499)
Show SMILES O=C(CC1CC1)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H26N4O2/c29-23(13-17-1-2-17)27-11-8-19(9-12-27)18-3-5-22(6-4-18)26-24(30)28-15-20-7-10-25-14-21(20)16-28/h3-8,10,14,17H,1-2,9,11-13,15-16H2,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.52n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216693
PNG
(US9302989, 1492)
Show SMILES CC(C)(O)CC(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C24H28N4O3/c1-24(2,31)13-22(29)27-11-8-18(9-12-27)17-3-5-21(6-4-17)26-23(30)28-15-19-7-10-25-14-20(19)16-28/h3-8,10,14,31H,9,11-13,15-16H2,1-2H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.53n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216716
PNG
(US9302989, 1518)
Show SMILES CCC(C)CCC(=O)N1CCC(=CC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1
Show InChI InChI=1S/C26H32N4O2/c1-3-19(2)4-9-25(31)29-14-11-21(12-15-29)20-5-7-24(8-6-20)28-26(32)30-17-22-10-13-27-16-23(22)18-30/h5-8,10-11,13,16,19H,3-4,9,12,14-15,17-18H2,1-2H3,(H,28,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.55n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM217193
PNG
(US9302989, 722)
Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccncc2C1
Show InChI InChI=1S/C24H30N4O2/c29-23(20-7-2-1-3-8-20)27-14-10-19(11-15-27)6-4-5-12-26-24(30)28-17-21-9-13-25-16-22(21)18-28/h1-3,7-9,13,16,19H,4-6,10-12,14-15,17-18H2,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.57n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216843
PNG
(US9302989, 1001)
Show SMILES O=C(Nc1ccc(OC2CCN(C2)C(=O)c2ccccc2)cc1)N1Cc2ccncc2C1
Show InChI InChI=1S/C25H24N4O3/c30-24(18-4-2-1-3-5-18)28-13-11-23(17-28)32-22-8-6-21(7-9-22)27-25(31)29-15-19-10-12-26-14-20(19)16-29/h1-10,12,14,23H,11,13,15-17H2,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.57n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinamide phosphoribosyltransferase


(Homo sapiens (Human))
BDBM216548
PNG
(US9302989, 564)
Show SMILES O=C(CC1CCCC1)Nc1ccc(NC(=O)N2Cc3ccc(cc3C2)C#N)cc1
Show InChI InChI=1S/C23H24N4O2/c24-13-17-5-6-18-14-27(15-19(18)11-17)23(29)26-21-9-7-20(8-10-21)25-22(28)12-16-3-1-2-4-16/h5-11,16H,1-4,12,14-15H2,(H,25,28)(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.59n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Probe 2:The assay was carried out in 18 uL low volume plates (Owens Corning) in reaction buffer (50 mM HEPES (NaOH), pH 7.5, 100 mM NaCl, 10 mM MgCl2...


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1657 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%