BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 840 hits with Last Name = 'asso' and Initial = 'v'   
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 2


(Homo sapiens (Human))		BDBM14028
PNG
((S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]...)
Show SMILES C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C16H21N3O2S/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents
 1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614318
PNG
(CHEMBL5278707)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
 2.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM108025
PNG
(US8604218, 2.039)
Show SMILES OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
Show InChI InChI=1S/C22H25N3O2/c26-11-12-27-20-5-1-3-17(13-20)15-25-10-8-19(16-25)24-22-6-2-4-18-14-23-9-7-21(18)22/h1-7,9,13-14,19,24,26H,8,10-12,15-16H2/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
 5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614319
PNG
(CHEMBL5273210)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
 6.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50161159
PNG
(CHEMBL3793353)
Show SMILES [H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)|
Show InChI InChI=1S/C18H18ClN3S/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
 10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM108025
PNG
(US8604218, 2.039)
Show SMILES OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
Show InChI InChI=1S/C22H25N3O2/c26-11-12-27-20-5-1-3-17(13-20)15-25-10-8-19(16-25)24-22-6-2-4-18-14-23-9-7-21(18)22/h1-7,9,13-14,19,24,26H,8,10-12,15-16H2/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
 14n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 20n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50417857
PNG
(CHEMBL1667969)
Show SMILES O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
Show InChI InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
 36n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
 140n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
 330n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50485288
PNG
(CHEMBL2046980)
Show SMILES [H][C@]1(CCCN1C(=O)COc1c(C)cccc1C)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r|
Show InChI InChI=1S/C34H42N2O6/c1-22-11-8-12-23(2)33(22)41-20-29(37)35-27(19-26-15-6-5-7-16-26)31(39)32(40)28-17-10-18-36(28)30(38)21-42-34-24(3)13-9-14-25(34)4/h5-9,11-16,27-28,31-32,39-40H,10,17-21H2,1-4H3,(H,35,37)/t27-,28-,31-,32-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.00150n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Inhibition of HIV1 3B protease activity in human H9 cells using Abz-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2 as substrate after 40 mins by spectrophotometr...

J Med Chem 55: 3900-10 (2012)


Article DOI: 10.1021/jm3001136
BindingDB Entry DOI: 10.7270/Q2959MDC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM16015
PNG
(CHEMBL252967 | N-cyclopropyl-4-[4-(3,4-dichlorophe...)
Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1
Show InChI InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 0.0780n/an/an/an/a7.022



Merck Research Laboratories



Assay Description
HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...

Chem Biol 10: 705-12 (2003)


Article DOI: 10.1016/S1074-5521(03)00159-5
BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM86636
PNG
(JNK-IN-11)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM86636
PNG
(JNK-IN-11)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM86635
PNG
(JNK-IN-10)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-9-21(18-26(20)34-27(37)7-5-17-36(2)3)28(38)32-23-10-12-24(13-11-23)33-29-31-16-14-25(35-29)22-6-4-15-30-19-22/h4-16,18-19H,17H2,1-3H3,(H,32,38)(H,34,37)(H,31,33,35)/b7-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM86634
PNG
(JNK-IN-9)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(C)c(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-9-24(32-27(37)7-5-17-36(2)3)18-25(20)28(38)33-22-10-12-23(13-11-22)34-29-31-16-14-26(35-29)21-6-4-15-30-19-21/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50485278
PNG
(CHEMBL2046922)
Show SMILES [H][C@]1(CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O |r|
Show InChI InChI=1S/C42H68N8O11/c1-9-24(6)35(49-41(60)34(23(4)5)45-26(8)53)42(61)50-17-13-16-32(50)37(56)36(55)28(19-27-14-11-10-12-15-27)46-39(58)30(20-33(43)54)48-38(57)29(18-22(2)3)47-40(59)31(21-51)44-25(7)52/h10-12,14-15,22-24,28-32,34-37,51,55-56H,9,13,16-21H2,1-8H3,(H2,43,54)(H,44,52)(H,45,53)(H,46,58)(H,47,59)(H,48,57)(H,49,60)/t24-,28-,29-,30-,31-,32-,34-,35-,36-,37-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 protease using Abz-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2 as substrate by fluorescence analysis

J Med Chem 55: 3900-10 (2012)


Article DOI: 10.1021/jm3001136
BindingDB Entry DOI: 10.7270/Q2959MDC
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50485285
PNG
(CHEMBL1233644)
Show SMILES [H][C@]1(CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a<0.600n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 protease using Abz-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2 as substrate by fluorescence analysis

J Med Chem 55: 3900-10 (2012)


Article DOI: 10.1021/jm3001136
BindingDB Entry DOI: 10.7270/Q2959MDC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM86632
PNG
(JNK-IN-7)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.75n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM86630
PNG
(JNK-IN-5)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H20N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h2-16H,1H2,(H,28,32)(H,29,33)(H,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.960n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM86633
PNG
(JNK-IN-8)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)c(C)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-17-24(11-12-25(20)34-29-31-15-13-26(35-29)22-8-5-14-30-19-22)33-28(38)21-7-4-9-23(18-21)32-27(37)10-6-16-36(2)3/h4-15,17-19H,16H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b10-6+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50089582
PNG
(CHEMBL3578250 | US9914740, I-1)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1 |r|
Show InChI InChI=1S/C22H20N2O3/c1-14(15-4-3-5-18(10-15)26-2)24-22(25)16-6-7-20-19-8-9-23-12-17(19)13-27-21(20)11-16/h3-12,14H,13H2,1-2H3,(H,24,25)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50430374
PNG
(CHEMBL2334292)
Show SMILES O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C21H19N5O/c27-21-16-8-14(15-9-23-24-10-15)6-7-19(16)25-20(26-21)18-12-22-11-17(18)13-4-2-1-3-5-13/h1-10,17-18,22H,11-12H2,(H,23,24)(H,25,26,27)/t17-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6-His-tagged ROCK2 expressed in baculovirus-infected Sf9 cells using LCB-AKRRRLSSLRA-NH2 as substrate after 25 mins b...

Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM412136
PNG
(US10392402, Compound A | US10738007, Compound A | ...)
Show SMILES Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
Show InChI InChI=1S/C18H13ClF2N6O/c1-8-7-24-17-15(8)12(2-3-23-17)28-16-10(20)4-9(5-11(16)21)25-14-6-13(19)26-18(22)27-14/h2-7H,1H3,(H,23,24)(H3,22,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614301
PNG
(CHEMBL5270382)
Show SMILES Nc1nccc(Nc2cc(F)c(Oc3ccnc4[nH]cc(C#N)c34)c(F)c2)n1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614300
PNG
(CHEMBL5274003)
Show SMILES Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(n1)-c1ccncc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM252001
PNG
(US9458110, 1)
Show SMILES COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Show InChI InChI=1S/C19H19N3O3/c1-24-16-5-3-4-13(8-16)10-20-19(23)14-6-7-17(18(9-14)25-2)15-11-21-22-12-15/h3-9,11-12H,10H2,1-2H3,(H,20,23)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM251935
PNG
(US9458110, 7)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50032821
PNG
(CHEMBL3355178)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
Show InChI InChI=1S/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay

J Med Chem 57: 10013-30 (2014)


Article DOI: 10.1021/jm501256y
BindingDB Entry DOI: 10.7270/Q25140TS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431137
PNG
(CHEMBL2332060)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C25H31N5O3/c1-4-30(16-18-6-5-7-21(12-18)32-3)25(31)28-23-9-8-19(20-14-26-27-15-20)13-24(23)33-22-10-11-29(2)17-22/h5-9,12-15,22H,4,10-11,16-17H2,1-3H3,(H,26,27)(H,28,31)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431143
PNG
(CHEMBL2332057)
Show SMILES OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
Show InChI InChI=1S/C19H20N4O2/c24-11-10-18(15-4-2-1-3-5-15)23-19(25)22-17-8-6-14(7-9-17)16-12-20-21-13-16/h1-9,12-13,18,24H,10-11H2,(H,20,21)(H2,22,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431134
PNG
(CHEMBL2332068)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C22H27N5O2/c1-26(2)11-12-27(16-17-5-4-6-21(13-17)29-3)22(28)25-20-9-7-18(8-10-20)19-14-23-24-15-19/h4-10,13-15H,11-12,16H2,1-3H3,(H,23,24)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431135
PNG
(CHEMBL2332065)
Show SMILES COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H22N4O3/c1-27-19-4-2-3-15(11-19)14-24(9-10-25)20(26)23-18-7-5-16(6-8-18)17-12-21-22-13-17/h2-8,11-13,25H,9-10,14H2,1H3,(H,21,22)(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431144
PNG
(CHEMBL2332099)
Show SMILES COc1cccc(CN(C2CC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C21H22N4O2/c1-27-20-4-2-3-15(11-20)14-25(19-9-10-19)21(26)24-18-7-5-16(6-8-18)17-12-22-23-13-17/h2-8,11-13,19H,9-10,14H2,1H3,(H,22,23)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431145
PNG
(CHEMBL2332098)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C20H22N4O2/c1-3-24(14-15-5-4-6-19(11-15)26-2)20(25)23-18-9-7-16(8-10-18)17-12-21-22-13-17/h4-13H,3,14H2,1-2H3,(H,21,22)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50431138
PNG
(CHEMBL2332097)
Show SMILES COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C19H20N4O2/c1-23(13-14-4-3-5-18(10-14)25-2)19(24)22-17-8-6-15(7-9-17)16-11-20-21-12-16/h3-12H,13H2,1-2H3,(H,20,21)(H,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay

J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM251935
PNG
(US9458110, 7)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
Show InChI InChI=1S/C20H21N3O3/c1-13(14-5-4-6-17(9-14)25-2)23-20(24)15-7-8-18(19(10-15)26-3)16-11-21-22-12-16/h4-13H,1-3H3,(H,21,22)(H,23,24)/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50430377
PNG
(CHEMBL2333898)
Show SMILES Clc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C21H18ClN5O/c22-15-4-1-12(2-5-15)17-10-23-11-18(17)20-26-19-6-3-13(14-8-24-25-9-14)7-16(19)21(28)27-20/h1-9,17-18,23H,10-11H2,(H,24,25)(H,26,27,28)/t17-,18+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin)

Bioorg Med Chem Lett 23: 1592-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.109
BindingDB Entry DOI: 10.7270/Q2TD9ZQM
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614310
PNG
(CHEMBL5269663)
Show SMILES COc1cccc(CN(CCN(C)C)C(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614312
PNG
(CHEMBL5284365)
Show SMILES COc1cccc(CNC(=O)c2nn(C)c3cc(ccc23)-c2cn[nH]c2)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50614313
PNG
(CHEMBL5283378)
Show SMILES COc1cccc(CNC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
UniChem
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50026615
PNG
(CHEMBL1922045)
Show SMILES COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-16-4-2-3-13(7-16)9-22-20(25)18-12-21-19-8-14(5-6-17(18)19)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a<1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM50495031
PNG
(CHEMBL3099975)
Show SMILES Oc1onc(c1-c1ccc(F)cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C24H21FN4O3/c25-18-3-1-16(2-4-18)22-23(28-32-24(22)30)17-9-10-26-21(15-17)27-19-5-7-20(8-6-19)29-11-13-31-14-12-29/h1-10,15,30H,11-14H2,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (39 to 402 amino acids) (unknown origin) expressed in Escherichia coli BL21(DE3) using biotinylated ATF2 as substrate after 15 min...

Bioorg Med Chem Lett 24: 161-4 (2014)


Article DOI: 10.1016/j.bmcl.2013.11.052
BindingDB Entry DOI: 10.7270/Q2XG9V3X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM86636
PNG
(JNK-IN-11)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2c(nn3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C36H32N8O2/c1-43(2)22-9-15-32(45)38-29-13-8-12-26(24-29)35(46)39-27-16-18-28(19-17-27)40-36-37-21-20-30(41-36)33-31-14-6-7-23-44(31)42-34(33)25-10-4-3-5-11-25/h3-21,23-24H,22H2,1-2H3,(H,38,45)(H,39,46)(H,37,40,41)/b15-9+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))		BDBM86632
PNG
(JNK-IN-7)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.54n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))		BDBM16016
PNG
(CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...)
Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.60n/an/an/an/a7.022



Merck Research Laboratories



Assay Description
HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...

Chem Biol 10: 705-12 (2003)


Article DOI: 10.1016/S1074-5521(03)00159-5
BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 1.60n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50485287
PNG
(CHEMBL2046975)
Show SMILES [H][C@]1(CCCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C |r|
Show InChI InChI=1S/C51H66N8O8/c1-29(2)44(57-48(64)41(54-31(5)60)25-34-27-52-38-20-12-10-18-36(34)38)50(66)56-40(24-33-16-8-7-9-17-33)46(62)47(63)43-22-14-15-23-59(43)51(67)45(30(3)4)58-49(65)42(55-32(6)61)26-35-28-53-39-21-13-11-19-37(35)39/h7-13,16-21,27-30,40-47,52-53,62-63H,14-15,22-26H2,1-6H3,(H,54,60)(H,55,61)(H,56,66)(H,57,64)(H,58,65)/t40-,41-,42-,43-,44-,45-,46-,47-/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 protease using Abz-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2 as substrate by fluorescence analysis

J Med Chem 55: 3900-10 (2012)


Article DOI: 10.1021/jm3001136
BindingDB Entry DOI: 10.7270/Q2959MDC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM86630
PNG
(JNK-IN-5)
Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C25H20N6O2/c1-2-23(32)28-21-7-3-5-17(15-21)24(33)29-19-8-10-20(11-9-19)30-25-27-14-12-22(31-25)18-6-4-13-26-16-18/h2-16H,1H2,(H,28,32)(H,29,33)(H,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.93n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))		BDBM86632
PNG
(JNK-IN-7)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1
Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.99n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.

Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 840 total )  |  Next  |  Last  >>
Jump to: