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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'kage' and Initial = 'k'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304410
PNG
(CHEMBL594108 | cis-2-[(E)-4-(1H-Imidazol-1-yl)but-...)
Show SMILES COc1ccc(cc1OC)C1=NN(C\C=C\Cn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:28,t:11|
Show InChI InChI=1S/C23H26N4O3/c1-29-20-10-9-17(15-21(20)30-2)22-18-7-3-4-8-19(18)23(28)27(25-22)13-6-5-12-26-14-11-24-16-26/h3-6,9-11,14-16,18-19H,7-8,12-13H2,1-2H3/b6-5+/t18-,19+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304411
PNG
(CHEMBL594109 | cis-2-{4-[(1H-Imidazol-1-yl)methyl]...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(Cn3ccnc3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:33,t:11|
Show InChI InChI=1S/C27H28N4O3/c1-33-24-12-11-21(15-25(24)34-2)26-22-5-3-4-6-23(22)27(32)31(29-26)17-20-9-7-19(8-10-20)16-30-14-13-28-18-30/h3-4,7-15,18,22-23H,5-6,16-17H2,1-2H3/t22-,23+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304417
PNG
(CHEMBL593656 | CHEMBL593877 | cis-(+/-)-4-(3,4-Dim...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-22(17-26(25)34-2)27-23-5-3-4-6-24(23)28(32)31(29-27)19-21-9-7-20(8-10-21)18-30-13-15-35-16-14-30/h3-4,7-12,17,23-24H,5-6,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304412
PNG
(CHEMBL595064 | cis-4-(3,4-Dimethoxyphenyl)-2-{4-[(...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCC(=O)CC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:35,t:11|
Show InChI InChI=1S/C29H33N3O4/c1-35-26-12-11-22(17-27(26)36-2)28-24-5-3-4-6-25(24)29(34)32(30-28)19-21-9-7-20(8-10-21)18-31-15-13-23(33)14-16-31/h3-4,7-12,17,24-25H,5-6,13-16,18-19H2,1-2H3/t24-,25+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase 1


(Homo sapiens (Human))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of PKG1A (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 (unknown origin) incubated for 2 hrs by AbbVie kinase panel assay

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506950
PNG
(CHEMBL4434688)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-19(22-4-3-5-24(16-22)33-2)30-27(32)25-7-6-23(21-8-12-29-13-9-21)17-26(25)31-14-10-20(18-28)11-15-31/h3-9,12-13,16-17,19-20H,10-11,14-15,18,28H2,1-2H3,(H,30,32)/t19-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304423
PNG
(CHEMBL595272 | cis-4-(3,4-Dimethoxyphenyl)-2-[4-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2CN2CCOCC2)C(=O)[C@@H]2CCCC[C@H]12 |r,t:11|
Show InChI InChI=1S/C28H35N3O4/c1-33-25-12-11-20(17-26(25)34-2)27-23-9-5-6-10-24(23)28(32)31(29-27)19-22-8-4-3-7-21(22)18-30-13-15-35-16-14-30/h3-4,7-8,11-12,17,23-24H,5-6,9-10,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506946
PNG
(CHEMBL4472858)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-18(12-17)26-2)24-21(25)16-8-6-15(7-9-16)19-10-11-23-13-20(19)22/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304413
PNG
(CHEMBL596447 | cis-2-[4-(1,4-Dioxa-8-azaspiro[4.5]...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCC4(CC3)OCCO4)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:39,t:11|
Show InChI InChI=1S/C31H37N3O5/c1-36-27-12-11-24(19-28(27)37-2)29-25-5-3-4-6-26(25)30(35)34(32-29)21-23-9-7-22(8-10-23)20-33-15-13-31(14-16-33)38-17-18-39-31/h3-4,7-12,19,25-26H,5-6,13-18,20-21H2,1-2H3/t25-,26+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304419
PNG
(CHEMBL592931 | cis-4-(3,4-Dimethoxyphenyl)-2-[2-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccccc2CN2CCOCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-12-11-20(17-26(25)34-2)27-23-9-5-6-10-24(23)28(32)31(29-27)19-22-8-4-3-7-21(22)18-30-13-15-35-16-14-30/h3-8,11-12,17,23-24H,9-10,13-16,18-19H2,1-2H3/t23-,24+/m0/s1
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Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304418
PNG
(CHEMBL596394 | cis-4-(3,4-Dimethoxyphenyl)-2-[3-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2cccc(CN3CCOCC3)c2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C28H33N3O4/c1-33-25-11-10-22(17-26(25)34-2)27-23-8-3-4-9-24(23)28(32)31(29-27)19-21-7-5-6-20(16-21)18-30-12-14-35-15-13-30/h3-7,10-11,16-17,23-24H,8-9,12-15,18-19H2,1-2H3/t23-,24+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26732
PNG
(Benzothiazole-based analogue, 1 | N-[4-(4-methoxy-...)
Show SMILES COc1cccc2sc(nc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O4S3/c1-31-19-4-2-5-20-22(19)26-24(33-20)17-7-9-18(10-8-17)25-23(28)16-11-13-27(14-12-16)34(29,30)21-6-3-15-32-21/h2-10,15-16H,11-14H2,1H3,(H,25,28)
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n/an/a 1.70n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304415
PNG
(CHEMBL595038 | cis-4-(3,4-Dimethoxyphenyl)-2-{4-[(...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCN(C)CC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:35,t:11|
Show InChI InChI=1S/C29H36N4O3/c1-31-14-16-32(17-15-31)19-21-8-10-22(11-9-21)20-33-29(34)25-7-5-4-6-24(25)28(30-33)23-12-13-26(35-2)27(18-23)36-3/h4-5,8-13,18,24-25H,6-7,14-17,19-20H2,1-3H3/t24-,25+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506933
PNG
(CHEMBL4536833)
Show SMILES Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
Show InChI InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)
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n/an/a 3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50506950
PNG
(CHEMBL4434688)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r|
Show InChI InChI=1S/C27H32N4O2/c1-19(22-4-3-5-24(16-22)33-2)30-27(32)25-7-6-23(21-8-12-29-13-9-21)17-26(25)31-14-10-20(18-28)11-15-31/h3-9,12-13,16-17,19-20H,10-11,14-15,18,28H2,1-2H3,(H,30,32)/t19-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506954
PNG
(CHEMBL4583341)
Show SMILES COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304422
PNG
(CHEMBL605096 | cis-5-(3,4-Dimethoxyphenyl)-3-[4-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2CC[C@H]12 |r,t:11|
Show InChI InChI=1S/C26H31N3O4/c1-31-23-10-7-20(15-24(23)32-2)25-21-8-9-22(21)26(30)29(27-25)17-19-5-3-18(4-6-19)16-28-11-13-33-14-12-28/h3-7,10,15,21-22H,8-9,11-14,16-17H2,1-2H3/t21-,22+/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304409
PNG
(CHEMBL595959 | cis-2-{2-[2-(1H-Imidazol-1-yl)ethox...)
Show SMILES COc1ccc(cc1OC)C1=NN(CCOCCn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:29,t:11|
Show InChI InChI=1S/C23H28N4O4/c1-29-20-8-7-17(15-21(20)30-2)22-18-5-3-4-6-19(18)23(28)27(25-22)12-14-31-13-11-26-10-9-24-16-26/h3-4,7-10,15-16,18-19H,5-6,11-14H2,1-2H3/t18-,19+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506925
PNG
(CHEMBL4469316)
Show SMILES COc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C22H22N2O3/c1-27-20-4-2-3-19(15-20)21(11-14-25)24-22(26)18-7-5-16(6-8-18)17-9-12-23-13-10-17/h2-10,12-13,15,21,25H,11,14H2,1H3,(H,24,26)/t21-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506939
PNG
(CHEMBL4459077)
Show SMILES O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C25H27N3O/c29-25(23-10-8-20(9-11-23)21-12-15-26-16-13-21)27-24(22-6-2-1-3-7-22)14-19-28-17-4-5-18-28/h1-3,6-13,15-16,24H,4-5,14,17-19H2,(H,27,29)/t24-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304414
PNG
(CHEMBL603626 | cis-4-(3,4-Dimethoxyphenyl)-2-[4-(p...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCCCC3)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:34,t:11|
Show InChI InChI=1S/C29H35N3O3/c1-34-26-15-14-23(18-27(26)35-2)28-24-8-4-5-9-25(24)29(33)32(30-28)20-22-12-10-21(11-13-22)19-31-16-6-3-7-17-31/h4-5,10-15,18,24-25H,3,6-9,16-17,19-20H2,1-2H3/t24-,25+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304416
PNG
(CHEMBL595039 | cis-4-(3,4-Dimethoxyphenyl)-2-{4-[(...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN(C)C)cc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:30,t:11|
Show InChI InChI=1S/C26H31N3O3/c1-28(2)16-18-9-11-19(12-10-18)17-29-26(30)22-8-6-5-7-21(22)25(27-29)20-13-14-23(31-3)24(15-20)32-4/h5-6,9-15,21-22H,7-8,16-17H2,1-4H3/t21-,22+/m0/s1
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n/an/a 9.70n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50506946
PNG
(CHEMBL4472858)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-18(12-17)26-2)24-21(25)16-8-6-15(7-9-16)19-10-11-23-13-20(19)22/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506929
PNG
(CHEMBL4553926)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCN)-c1ccncc1 |r|
Show InChI InChI=1S/C24H28N4O2/c1-17(19-5-3-6-21(15-19)30-2)28-24(29)22-8-7-20(18-9-13-26-14-10-18)16-23(22)27-12-4-11-25/h3,5-10,13-17,27H,4,11-12,25H2,1-2H3,(H,28,29)/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1/2


(Homo sapiens (Human))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of ROCK1/2 in human PANC1 cells assessed as reduction in MYPT1 phosphorylation after 1 hr by ELISA

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506945
PNG
(CHEMBL4474946)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r|
Show InChI InChI=1S/C21H21N3O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H2,22,23)(H,24,25)/t14-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26712
PNG
(1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazo...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O3S2/c1-18-7-12-23-24(17-18)33-26(28-23)20-8-10-21(11-9-20)27-25(30)19-13-15-29(16-14-19)34(31,32)22-5-3-2-4-6-22/h2-12,17,19H,13-16H2,1H3,(H,27,30)
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n/an/a 13n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50506954
PNG
(CHEMBL4583341)
Show SMILES COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C26H29N3O2/c1-31-24-6-4-5-23(19-24)25(13-18-29-16-2-3-17-29)28-26(30)22-9-7-20(8-10-22)21-11-14-27-15-12-21/h4-12,14-15,19,25H,2-3,13,16-18H2,1H3,(H,28,30)/t25-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26729
PNG
(N-[4-(6-chloro-1,3-benzothiazol-2-yl)phenyl]-1-(th...)
Show SMILES Clc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C23H20ClN3O3S3/c24-17-5-8-19-20(14-17)32-23(26-19)16-3-6-18(7-4-16)25-22(28)15-9-11-27(12-10-15)33(29,30)21-2-1-13-31-21/h1-8,13-15H,9-12H2,(H,25,28)
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n/an/a 14n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506921
PNG
(CHEMBL4459800)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O2/c1-14(17-4-3-5-19(12-17)26-2)24-21(25)16-8-6-15(7-9-16)18-10-11-23-20(22)13-18/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26731
PNG
(N-[4-(4-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(th...)
Show SMILES Cc1cccc2sc(nc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S3/c1-16-4-2-5-20-22(16)26-24(32-20)18-7-9-19(10-8-18)25-23(28)17-11-13-27(14-12-17)33(29,30)21-6-3-15-31-21/h2-10,15,17H,11-14H2,1H3,(H,25,28)
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n/an/a 14n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506931
PNG
(CHEMBL4465725)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r|
Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304408
PNG
(CHEMBL605935 | N-[3-(1H-Imidazol-1-yl)propyl]-2-[c...)
Show SMILES COc1ccc(cc1OC)C1=NN(CC(=O)NCCCn2ccnc2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:31,t:11|
Show InChI InChI=1S/C24H29N5O4/c1-32-20-9-8-17(14-21(20)33-2)23-18-6-3-4-7-19(18)24(31)29(27-23)15-22(30)26-10-5-12-28-13-11-25-16-28/h3-4,8-9,11,13-14,16,18-19H,5-7,10,12,15H2,1-2H3,(H,26,30)/t18-,19+/m0/s1
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n/an/a 14.3n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506928
PNG
(CHEMBL4469434)
Show SMILES CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C23H24N2O2/c1-3-15-27-22-6-4-5-21(16-22)17(2)25-23(26)20-9-7-18(8-10-20)19-11-13-24-14-12-19/h4-14,16-17H,3,15H2,1-2H3,(H,25,26)/t17-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26728
PNG
(N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C23H21N3O3S3/c27-22(16-11-13-26(14-12-16)32(28,29)21-6-3-15-30-21)24-18-9-7-17(8-10-18)23-25-19-4-1-2-5-20(19)31-23/h1-10,15-16H,11-14H2,(H,24,27)
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n/an/a 15n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26722
PNG
(4-(6-methyl-1,3-benzothiazol-2-yl)-N-{[1-(thiophen...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NCC2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H25N3O2S3/c1-17-4-9-21-22(15-17)31-24(26-21)19-5-7-20(8-6-19)25-16-18-10-12-27(13-11-18)32(28,29)23-3-2-14-30-23/h2-9,14-15,18,25H,10-13,16H2,1H3
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n/an/a 16n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))		BDBM50304421
PNG
(CHEMBL603194 | cis-5-(3,4-Dimethoxyphenyl)-3-[4-(m...)
Show SMILES COc1ccc(cc1OC)C1=NN(Cc2ccc(CN3CCOCC3)cc2)C(=O)[C@@H]2C[C@H]12 |r,t:11|
Show InChI InChI=1S/C25H29N3O4/c1-30-22-8-7-19(13-23(22)31-2)24-20-14-21(20)25(29)28(26-24)16-18-5-3-17(4-6-18)15-27-9-11-32-12-10-27/h3-8,13,20-21H,9-12,14-16H2,1-2H3/t20-,21+/m0/s1
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n/an/a 16.4n/an/an/an/an/an/a



Kyoto 601-8550

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D catalytic domain cloned from human HL60 cells assessed as inhibition of cAMP hydrolysis

Bioorg Med Chem 17: 6959-70 (2009)


Article DOI: 10.1016/j.bmc.2009.08.014
BindingDB Entry DOI: 10.7270/Q2WH2Q26
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50506948
PNG
(CHEMBL4448806)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
Show InChI InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26708
PNG
(N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(th...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S3/c1-16-4-9-20-21(15-16)32-24(26-20)18-5-7-19(8-6-18)25-23(28)17-10-12-27(13-11-17)33(29,30)22-3-2-14-31-22/h2-9,14-15,17H,10-13H2,1H3,(H,25,28)
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n/an/a 18n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26733
PNG
(N-{4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl}...)
Show SMILES COc1cccc(c1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
Show InChI InChI=1S/C26H25N3O4S3/c1-33-22-5-2-4-20(16-22)23-17-35-26(28-23)19-7-9-21(10-8-19)27-25(30)18-11-13-29(14-12-18)36(31,32)24-6-3-15-34-24/h2-10,15-18H,11-14H2,1H3,(H,27,30)
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n/an/a 19n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506951
PNG
(CHEMBL4557041)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@H](CN)C1)-c1ccncn1 |r|
Show InChI InChI=1S/C26H31N5O2/c1-18(20-6-3-7-22(13-20)33-2)30-26(32)23-9-8-21(24-10-11-28-17-29-24)14-25(23)31-12-4-5-19(15-27)16-31/h3,6-11,13-14,17-19H,4-5,12,15-16,27H2,1-2H3,(H,30,32)/t18-,19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))		BDBM50506933
PNG
(CHEMBL4536833)
Show SMILES Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
Show InChI InChI=1S/C19H16N2O2/c22-18-3-1-2-14(12-18)13-21-19(23)17-6-4-15(5-7-17)16-8-10-20-11-9-16/h1-12,22H,13H2,(H,21,23)
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n/an/a 19n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged catalytic ROCK1 expressed in baculovirus system using STK S2 peptide substrate and and 33P-ATP after 60 mins by HTRF a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506956
PNG
(CHEMBL4555093)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncc1 |r|
Show InChI InChI=1S/C25H30N4O2/c1-18(20-6-5-7-22(16-20)31-2)29-25(30)23-9-8-21(19-10-14-27-15-11-19)17-24(23)28-13-4-3-12-26/h5-11,14-18,28H,3-4,12-13,26H2,1-2H3,(H,29,30)/t18-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26724
PNG
(N-[4-(quinolin-2-yl)phenyl]-1-(thiophene-2-sulfony...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc2ccccc2n1)C1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C25H23N3O3S2/c29-25(20-13-15-28(16-14-20)33(30,31)24-6-3-17-32-24)26-21-10-7-19(8-11-21)23-12-9-18-4-1-2-5-22(18)27-23/h1-12,17,20H,13-16H2,(H,26,29)
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n/an/a 21n/an/an/an/a8.022



Abbott Laboratories



Assay Description
[3H]anandamide was incubated with membranes to produce radiolabeled ethanolamine and unlabeled arachidonic acid. Charcoal selectively binds anandamid...

J Med Chem 52: 170-80 (2009)


Article DOI: 10.1021/jm801042a
BindingDB Entry DOI: 10.7270/Q24B2ZMQ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))		BDBM50506941
PNG
(CHEMBL4572198)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCN)-c1ccncc1 |r|
Show InChI InChI=1S/C23H26N4O2/c1-16(18-4-3-5-20(14-18)29-2)27-23(28)21-7-6-19(15-22(21)26-13-10-24)17-8-11-25-12-9-17/h3-9,11-12,14-16,26H,10,13,24H2,1-2H3,(H,27,28)/t16-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant ROCK2 (11 to 552 residues) expressed in Spodoptera frugiperda insect cells using STK S2 peptide substrate a...

J Med Chem 61: 11074-11100 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01098
BindingDB Entry DOI: 10.7270/Q2RB77XJ
More data for this
Ligand-Target Pair
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