BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 692 hits with Last Name = 'sarko' and Initial = 'cr'   
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
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184269
PNG
(US9150577, 139)
Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-16-17(2)32-22-15-19(11-10-18(22)14-23(32)25(34)27-16)24(33)29-26-28-20-8-5-6-9-21(20)31(26)13-7-12-30(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,27,34)(H,28,29,33)/t16-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.180n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184222
PNG
(US9150577, 82)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-4-27-17-8-6-5-7-16(17)25-22(27)26-20(29)15-10-9-14-11-19-21(30)24-13-23(2,3)28(19)18(14)12-15/h5-12H,4,13H2,1-3H3,(H,24,30)(H,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.25n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184235
PNG
(US9150577, 98)
Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C26H30N6O2/c1-26(2)16-27-24(34)22-14-17-10-11-18(15-21(17)32(22)26)23(33)29-25-28-19-8-5-6-9-20(19)31(25)13-7-12-30(3)4/h5-6,8-11,14-15H,7,12-13,16H2,1-4H3,(H,27,34)(H,28,29,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.380n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184270
PNG
(US9150577, 140)
Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.420n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184201
PNG
(US9150577, 57)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H17N5O2/c1-11-10-21-19(27)17-8-12-6-7-13(9-16(12)25(11)17)18(26)24-20-22-14-4-2-3-5-15(14)23-20/h2-9,11H,10H2,1H3,(H,21,27)(H2,22,23,24,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.590n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184290
PNG
(US9150577, 166)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-3-27-18-7-5-4-6-17(18)25-23(27)26-21(29)16-9-8-15-12-20-22(30)24-11-10-14(2)28(20)19(15)13-16/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,30)(H,25,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184260
PNG
(US9150577, 130)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-9-17-7-8-18(10-20(17)28(15)21)22(29)26-19-12-25-27(14-19)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184203
PNG
(US9150577, 59)
Show SMILES Cn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-22(2)12-23-20(29)18-10-13-8-9-14(11-17(13)27(18)22)19(28)25-21-24-15-6-4-5-7-16(15)26(21)3/h4-11H,12H2,1-3H3,(H,23,29)(H,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.620n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184223
PNG
(US9150577, 83)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-3-26-17-7-5-4-6-16(17)24-22(26)25-20(28)15-9-8-14-10-19-21(29)23-12-13(2)27(19)18(14)11-15/h4-11,13H,3,12H2,1-2H3,(H,23,29)(H,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.630n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184220
PNG
(US9150577, 79)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)N[C@H](C)[C@H](C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-4-27-18-8-6-5-7-17(18)25-23(27)26-21(29)16-10-9-15-11-20-22(30)24-13(2)14(3)28(20)19(15)12-16/h5-14H,4H2,1-3H3,(H,24,30)(H,25,26,29)/t13-,14+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.640n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184259
PNG
(US9150577, 129)
Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C25H28N6O2/c1-16-15-26-24(33)22-13-17-9-10-18(14-21(17)31(16)22)23(32)28-25-27-19-7-4-5-8-20(19)30(25)12-6-11-29(2)3/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3,(H,26,33)(H,27,28,32)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184273
PNG
(US9150577, 143)
Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O2/c1-16-9-10-25-24(31)22-11-18-7-8-19(12-21(18)29(16)22)23(30)27-20-13-26-28(15-20)14-17-5-3-2-4-6-17/h2-8,11-13,15-16H,9-10,14H2,1H3,(H,25,31)(H,27,30)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.710n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184202
PNG
(US9150577, 58)
Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H19N5O2/c1-12-8-9-22-20(28)18-10-13-6-7-14(11-17(13)26(12)18)19(27)25-21-23-15-4-2-3-5-16(15)24-21/h2-7,10-12H,8-9H2,1H3,(H,22,28)(H2,23,24,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.770n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184200
PNG
(US9150577, 56)
Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H19N5O2/c1-21(2)11-22-19(28)17-9-12-7-8-13(10-16(12)26(17)21)18(27)25-20-23-14-5-3-4-6-15(14)24-20/h3-10H,11H2,1-2H3,(H,22,28)(H2,23,24,25,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.890n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17922
PNG
(2-(1-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C36H42N4O7/c1-24-8-6-7-11-29(24)37-36(45)38-30-13-12-27(18-32(30)46-2)19-33(41)40-22-28(47-23-26-9-4-3-5-10-26)21-31(40)35(44)39-16-14-25(15-17-39)20-34(42)43/h3-13,18,25,28,31H,14-17,19-23H2,1-2H3,(H,42,43)(H2,37,38,45)/t28-,31+/m1/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.940n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17930
PNG
(2-(4-{[(2S,3S)-3-hydroxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES COc1cc(CC(=O)N2CC[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O7/c1-18-5-3-4-6-20(18)29-28(39)30-21-8-7-19(15-23(21)40-2)16-24(35)33-10-9-22(34)26(33)27(38)32-13-11-31(12-14-32)17-25(36)37/h3-8,15,22,26,34H,9-14,16-17H2,1-2H3,(H,36,37)(H2,29,30,39)/t22-,26-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.960n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17937
PNG
(2-(4-{[(2S)-1-[2-(3-methoxy-4-{[(2-methylphenyl)ca...)
Show SMILES COc1cc(CC(=O)N2C3CCCCC3C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C32H41N5O6/c1-21-7-3-5-9-24(21)33-32(42)34-25-12-11-22(17-28(25)43-2)18-29(38)37-26-10-6-4-8-23(26)19-27(37)31(41)36-15-13-35(14-16-36)20-30(39)40/h3,5,7,9,11-12,17,23,26-27H,4,6,8,10,13-16,18-20H2,1-2H3,(H,39,40)(H2,33,34,42)/t23?,26?,27-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17931
PNG
(2-(4-{[(2S,4S)-4-fluoro-1-[2-(3-methoxy-4-{[(2-met...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H34FN5O6/c1-18-5-3-4-6-21(18)30-28(39)31-22-8-7-19(13-24(22)40-2)14-25(35)34-16-20(29)15-23(34)27(38)33-11-9-32(10-12-33)17-26(36)37/h3-8,13,20,23H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t20-,23-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17924
PNG
(2-(1-{[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C29H36N4O7/c1-18-5-3-4-6-22(18)30-29(39)31-23-8-7-20(13-25(23)40-2)14-26(35)33-17-21(34)16-24(33)28(38)32-11-9-19(10-12-32)15-27(36)37/h3-8,13,19,21,24,34H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t21-,24+/m1/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17920
PNG
(2-(1-{[(2S,4R)-4-methoxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C(=O)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C30H38N4O7/c1-19-6-4-5-7-23(19)31-30(39)32-24-9-8-21(14-26(24)41-3)15-27(35)34-18-22(40-2)17-25(34)29(38)33-12-10-20(11-13-33)16-28(36)37/h4-9,14,20,22,25H,10-13,15-18H2,1-3H3,(H,36,37)(H2,31,32,39)/t22-,25+/m1/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.10n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17934
PNG
(2-(4-{[(2S,4S)-4-chloro-1-[2-(3-methoxy-4-{[(2-met...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](Cl)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H34ClN5O6/c1-18-5-3-4-6-21(18)30-28(39)31-22-8-7-19(13-24(22)40-2)14-25(35)34-16-20(29)15-23(34)27(38)33-11-9-32(10-12-33)17-26(36)37/h3-8,13,20,23H,9-12,14-17H2,1-2H3,(H,36,37)(H2,30,31,39)/t20-,23-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM50360301
PNG
(CHEMBL1933288 | US9150577, 93)
Show SMILES C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM50360293
PNG
(CHEMBL1933280 | US9150577, 81)
Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCCn4c3c2)nc2ccccc12
Show InChI InChI=1S/C22H21N5O2/c1-2-26-17-7-4-3-6-16(17)24-22(26)25-20(28)15-9-8-14-12-19-21(29)23-10-5-11-27(19)18(14)13-15/h3-4,6-9,12-13H,2,5,10-11H2,1H3,(H,23,29)(H,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17927
PNG
(2-(4-{[(2S,4S)-1-[2-(3-methoxy-4-{[(2-methylphenyl...)
Show SMILES COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C34H39N5O7/c1-23-8-6-7-11-27(23)35-34(44)36-28-13-12-24(18-30(28)45-2)19-31(40)39-21-26(46-25-9-4-3-5-10-25)20-29(39)33(43)38-16-14-37(15-17-38)22-32(41)42/h3-13,18,26,29H,14-17,19-22H2,1-2H3,(H,41,42)(H2,35,36,44)/t26-,29-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184236
PNG
(US9150577, 100)
Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C25H28N6O2/c1-16-15-26-24(33)22-13-17-9-10-18(14-21(17)31(16)22)23(32)28-25-27-19-7-4-5-8-20(19)30(25)12-6-11-29(2)3/h4-5,7-10,13-14,16H,6,11-12,15H2,1-3H3,(H,26,33)(H,27,28,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17929
PNG
(2-(4-{[(2S,3S)-3-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2CC[C@H](OCc3ccccc3)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C35H41N5O7/c1-24-8-6-7-11-27(24)36-35(45)37-28-13-12-26(20-30(28)46-2)21-31(41)40-15-14-29(47-23-25-9-4-3-5-10-25)33(40)34(44)39-18-16-38(17-19-39)22-32(42)43/h3-13,20,29,33H,14-19,21-23H2,1-2H3,(H,42,43)(H2,36,37,45)/t29-,33-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184238
PNG
(US9150577, 102)
Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-17-11-12-27-25(34)23-15-18-9-10-19(16-22(18)32(17)23)24(33)29-26-28-20-7-4-5-8-21(20)31(26)14-6-13-30(2)3/h4-5,7-10,15-17H,6,11-14H2,1-3H3,(H,27,34)(H,28,29,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184214
PNG
(US9150577, 71)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCC[C@@H](C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C24H25N5O2/c1-14(2)28-19-7-5-4-6-18(19)26-24(28)27-22(30)17-9-8-16-12-21-23(31)25-11-10-15(3)29(21)20(16)13-17/h4-9,12-15H,10-11H2,1-3H3,(H,25,31)(H,26,27,30)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157050
PNG
(CHEMBL361914 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...)
Show SMILES COc1cc(CC(=O)N2CC=CC2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H33N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-10,16,23H,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17933
PNG
(2-(4-{[(2S)-4,4-difluoro-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES COc1cc(CC(=O)N2CC(F)(F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H33F2N5O6/c1-18-5-3-4-6-20(18)31-27(40)32-21-8-7-19(13-23(21)41-2)14-24(36)35-17-28(29,30)15-22(35)26(39)34-11-9-33(10-12-34)16-25(37)38/h3-8,13,22H,9-12,14-17H2,1-2H3,(H,37,38)(H2,31,32,40)/t22-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17928
PNG
(2-(4-{[(2S,4S)-1-[2-(3-methoxy-4-{[(2-methylphenyl...)
Show SMILES COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccc3ccccc3c2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C38H41N5O7/c1-25-7-3-6-10-31(25)39-38(48)40-32-14-11-26(19-34(32)49-2)20-35(44)43-23-30(50-29-13-12-27-8-4-5-9-28(27)21-29)22-33(43)37(47)42-17-15-41(16-18-42)24-36(45)46/h3-14,19,21,30,33H,15-18,20,22-24H2,1-2H3,(H,45,46)(H2,39,40,48)/t30-,33-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17926
PNG
(2-(4-{[(2S,3R,4S)-3,4-dihydroxy-1-[2-(3-methoxy-4-...)
Show SMILES COc1cc(CC(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O8/c1-17-5-3-4-6-19(17)29-28(40)30-20-8-7-18(13-22(20)41-2)14-23(35)33-15-21(34)26(38)25(33)27(39)32-11-9-31(10-12-32)16-24(36)37/h3-8,13,21,25-26,34,38H,9-12,14-16H2,1-2H3,(H,36,37)(H2,29,30,40)/t21-,25-,26-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17935
PNG
(2-[4-({2-[2-(3-methoxy-4-{[(2-methylphenyl)carbamo...)
Show SMILES COc1cc(CC(=O)N2Cc3ccccc3C2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C32H35N5O6/c1-21-7-3-6-10-25(21)33-32(42)34-26-12-11-22(17-27(26)43-2)18-28(38)37-19-23-8-4-5-9-24(23)30(37)31(41)36-15-13-35(14-16-36)20-29(39)40/h3-12,17,30H,13-16,18-20H2,1-2H3,(H,39,40)(H2,33,34,42)
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17925
PNG
(2-(4-{[(3aR,4S,6aS)-5-[2-(3-methoxy-4-{[(2-methylp...)
Show SMILES COc1cc(CC(=O)N2C[C@@H]3OC(C)(C)O[C@@H]3[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C31H39N5O8/c1-19-7-5-6-8-21(19)32-30(41)33-22-10-9-20(15-23(22)42-4)16-25(37)36-17-24-28(44-31(2,3)43-24)27(36)29(40)35-13-11-34(12-14-35)18-26(38)39/h5-10,15,24,27-28H,11-14,16-18H2,1-4H3,(H,38,39)(H2,32,33,41)/t24-,27-,28-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157039
PNG
(CHEMBL179780 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...)
Show SMILES COc1cc(CC(=O)N2CCCC2CN2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H37N5O5/c1-20-6-3-4-8-23(20)29-28(37)30-24-10-9-21(16-25(24)38-2)17-26(34)33-11-5-7-22(33)18-31-12-14-32(15-13-31)19-27(35)36/h3-4,6,8-10,16,22H,5,7,11-15,17-19H2,1-2H3,(H,35,36)(H2,29,30,37)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50157041
PNG
(CHEMBL185571 | [4-(1-{2-[3-Methoxy-4-(3-o-tolyl-ur...)
Show SMILES COc1cc(CC(=O)N2CCCC2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-4,6-7,9-10,16,23H,5,8,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of VLA-4 receptor expressed in CHO cells


Bioorg Med Chem Lett 15: 41-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.041
BindingDB Entry DOI: 10.7270/Q23J3F7Q
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17921
PNG
(2-(4-{[(2S,4R)-4-(benzyloxy)-1-[2-(3-methoxy-4-{[(...)
Show SMILES COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C35H41N5O7/c1-24-8-6-7-11-28(24)36-35(45)37-29-13-12-26(18-31(29)46-2)19-32(41)40-21-27(47-23-25-9-4-3-5-10-25)20-30(40)34(44)39-16-14-38(15-17-39)22-33(42)43/h3-13,18,27,30H,14-17,19-23H2,1-2H3,(H,42,43)(H2,36,37,45)/t27-,30+/m1/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184207
PNG
(US9150577, 63)
Show SMILES CC1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1C
Show InChI InChI=1S/C22H21N5O2/c1-13-9-10-23-21(29)19-11-14-7-8-15(12-18(14)27(13)19)20(28)25-22-24-16-5-3-4-6-17(16)26(22)2/h3-8,11-13H,9-10H2,1-2H3,(H,23,29)(H,24,25,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17918
PNG
(2-(4-{[(2S)-1-[2-(3-methoxy-4-{[(2-methylphenyl)ca...)
Show SMILES COc1cc(CC(=O)N2CCC[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
Show InChI InChI=1S/C28H35N5O6/c1-19-6-3-4-7-21(19)29-28(38)30-22-10-9-20(16-24(22)39-2)17-25(34)33-11-5-8-23(33)27(37)32-14-12-31(13-15-32)18-26(35)36/h3-4,6-7,9-10,16,23H,5,8,11-15,17-18H2,1-2H3,(H,35,36)(H2,29,30,38)/t23-/m0/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184264
PNG
(US9150577, 134)
Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O2/c1-24(2)15-25-23(31)21-10-17-8-9-18(11-20(17)29(21)24)22(30)27-19-12-26-28(14-19)13-16-6-4-3-5-7-16/h3-12,14H,13,15H2,1-2H3,(H,25,31)(H,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184213
PNG
(US9150577, 70)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NC[C@H](C)[C@H](C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C25H27N5O2/c1-14(2)29-20-8-6-5-7-19(20)27-25(29)28-23(31)18-10-9-17-11-22-24(32)26-13-15(3)16(4)30(22)21(17)12-18/h5-12,14-16H,13H2,1-4H3,(H,26,32)(H,27,28,31)/t15-,16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184289
PNG
(US9150577, 165)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C24H25N5O2/c1-14(2)28-19-7-5-4-6-18(19)26-24(28)27-22(30)17-9-8-16-12-21-23(31)25-11-10-15(3)29(21)20(16)13-17/h4-9,12-15H,10-11H2,1-3H3,(H,25,31)(H,26,27,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184211
PNG
(US9150577, 68)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NC[C@@H](C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C23H23N5O2/c1-13(2)27-18-7-5-4-6-17(18)25-23(27)26-21(29)16-9-8-15-10-20-22(30)24-12-14(3)28(20)19(15)11-16/h4-11,13-14H,12H2,1-3H3,(H,24,30)(H,25,26,29)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184176
PNG
(US9150577, 28)
Show SMILES Cc1cc(C)cc(Cn2cc(NC(=O)c3ccc4cc5C(=O)NCCCn5c4c3)cn2)c1
Show InChI InChI=1S/C25H25N5O2/c1-16-8-17(2)10-18(9-16)14-29-15-21(13-27-29)28-24(31)20-5-4-19-11-23-25(32)26-6-3-7-30(23)22(19)12-20/h4-5,8-13,15H,3,6-7,14H2,1-2H3,(H,26,32)(H,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184177
PNG
(BDBM184272 | US9150577, 29)
Show SMILES C[C@H]1NC(=O)c2cc3ccc(cc3n2[C@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM50360291
PNG
(CHEMBL1933278 | US9150577, 114)
Show SMILES O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(26-18-12-25-27(14-18)13-15-4-7-23-8-5-15)17-3-2-16-10-20-22(30)24-6-1-9-28(20)19(16)11-17/h2-5,7-8,10-12,14H,1,6,9,13H2,(H,24,30)(H,26,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Integrin alpha4beta1 (VLA-4)


(Homo sapiens (Human))
BDBM17919
PNG
(2-(4-{[(2S,4R)-4-methoxy-1-[2-(3-methoxy-4-{[(2-me...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C(=O)N1CCN(CC(O)=O)CC1
Show InChI InChI=1S/C29H37N5O7/c1-19-6-4-5-7-22(19)30-29(39)31-23-9-8-20(14-25(23)41-3)15-26(35)34-17-21(40-2)16-24(34)28(38)33-12-10-32(11-13-33)18-27(36)37/h4-9,14,21,24H,10-13,15-18H2,1-3H3,(H,36,37)(H2,30,31,39)/t21-,24+/m1/s1
PDB

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/a7.522



Daiichi Pharmaceutical



Assay Description
The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...


Bioorg Med Chem 14: 2725-46 (2006)


Article DOI: 10.1016/j.bmc.2005.11.058
BindingDB Entry DOI: 10.7270/Q2ZW1J5H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184232
PNG
(US9150577, 92)
Show SMILES C[C@H]1CNC(=O)c2cc3ccc(cc3n2[C@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C27H32N6O2/c1-17-16-28-26(35)24-14-19-10-11-20(15-23(19)33(24)18(17)2)25(34)30-27-29-21-8-5-6-9-22(21)32(27)13-7-12-31(3)4/h5-6,8-11,14-15,17-18H,7,12-13,16H2,1-4H3,(H,28,35)(H,29,30,34)/t17-,18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184215
PNG
(US9150577, 73)
Show SMILES CC(C)n1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)(C)n4c3c2)nc2ccccc12
Show InChI InChI=1S/C25H27N5O2/c1-15(2)29-19-8-6-5-7-18(19)27-24(29)28-22(31)17-10-9-16-13-21-23(32)26-12-11-25(3,4)30(21)20(16)14-17/h5-10,13-15H,11-12H2,1-4H3,(H,26,32)(H,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (Human))
BDBM184230
PNG
(BDBM184271 | US9150577, 90)
Show SMILES C[C@H]1NC(=O)c2cc3ccc(cc3n2[C@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C
Show InChI InChI=1S/C26H30N6O2/c1-16-17(2)32-22-15-19(11-10-18(22)14-23(32)25(34)27-16)24(33)29-26-28-20-8-5-6-9-21(20)31(26)13-7-12-30(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,27,34)(H,28,29,33)/t16-,17+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 692 total )  |  Next  |  Last  >>
Jump to: