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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'pandit' 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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against to human cannabinoid receptor 2 in chinese hamster ovary cells


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089369
PNG
(CHEMBL3577959)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1
Show InChI InChI=1S/C21H30FN3O/c22-19-8-10-23(11-9-19)16-17-4-6-18(7-5-17)21(26)25-14-12-24(13-15-25)20-2-1-3-20/h4-7,19-20H,1-3,8-16H2
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0.700n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089374
PNG
(CHEMBL3577954)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCCC2)cc1
Show InChI InChI=1S/C21H33N3O/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22/h7-10,18H,3-6,11-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089375
PNG
(CHEMBL3577953)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089372
PNG
(CHEMBL3577956)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089370
PNG
(CHEMBL3577958)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1
Show InChI InChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21281
PNG
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)
Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound was determined against to human cannabinoid receptor 1 in chinese hamster ovary cells


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128092
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089368
PNG
(CHEMBL3577960)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C20H28FN3O/c21-18-7-9-22(10-8-18)15-16-1-3-17(4-2-16)20(25)24-13-11-23(12-14-24)19-5-6-19/h1-4,18-19H,5-15H2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089373
PNG
(CHEMBL3577955)
Show SMILES OC(=O)\C=C/C(O)=O.CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H29N3O2.C4H4O4/c1-16(2)21-7-9-22(10-8-21)19(23)18-5-3-17(4-6-18)15-20-11-13-24-14-12-20;5-3(6)1-2-4(7)8/h3-6,16H,7-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
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2.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089378
PNG
(CHEMBL3577951)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C17H27N3O/c1-14(2)19-9-11-20(12-10-19)17(21)16-7-5-15(6-8-16)13-18(3)4/h5-8,14H,9-13H2,1-4H3
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5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089371
PNG
(CHEMBL3577957)
Show SMILES Cl.O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H27N3O2.ClH/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20;/h1-4,18H,5-15H2;1H
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5.40n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089377
PNG
(CHEMBL3577952)
Show SMILES CCN(CC)Cc1ccc(cc1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C19H31N3O/c1-5-20(6-2)15-17-7-9-18(10-8-17)19(23)22-13-11-21(12-14-22)16(3)4/h7-10,16H,5-6,11-15H2,1-4H3
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6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128095
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128100
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50272598
PNG
(6-Methoxy-5-(2-morpholin-4-yl-ethyl)-2-(1,3,3-trim...)
Show SMILES COc1cccc2c1n(CCN1CCOCC1)c1ccn([C@H]3[C@@]4(C)CC[C@H](C4)C3(C)C)c(=O)c21 |r|
Show InChI InChI=1S/C28H37N3O3/c1-27(2)19-8-10-28(3,18-19)26(27)31-11-9-21-23(25(31)32)20-6-5-7-22(33-4)24(20)30(21)13-12-29-14-16-34-17-15-29/h5-7,9,11,19,26H,8,10,12-18H2,1-4H3/t19-,26-,28+/m1/s1
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16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089383
PNG
(CHEMBL1707983)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C17H25N3O2/c1-18-6-8-20(9-7-18)17(21)16-4-2-15(3-5-16)14-19-10-12-22-13-11-19/h2-5H,6-14H2,1H3
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22n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128092
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C25H36N4O3/c1-24(2)17-8-9-25(3,16-17)23(24)26-22(30)20-18-6-5-7-19(31-4)21(18)29(27-20)11-10-28-12-14-32-15-13-28/h5-7,17,23H,8-16H2,1-4H3,(H,26,30)/t17-,23?,25+/m1/s1
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24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089384
PNG
(CHEMBL3577950)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C18H27N3O/c1-19-11-13-21(14-12-19)18(22)17-7-5-16(6-8-17)15-20-9-3-2-4-10-20/h5-8H,2-4,9-15H2,1H3
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24n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128095
PNG
(7-Methoxy-2-methyl-1-(2-morpholin-4-yl-ethyl)-1H-i...)
Show SMILES COc1cccc2c(C(=O)NC3[C@@]4(C)CC[C@H](C4)C3(C)C)c(C)n(CCN3CCOCC3)c12
Show InChI InChI=1S/C27H39N3O3/c1-18-22(24(31)28-25-26(2,3)19-9-10-27(25,4)17-19)20-7-6-8-21(32-5)23(20)30(18)12-11-29-13-15-33-16-14-29/h6-8,19,25H,9-17H2,1-5H3,(H,28,31)/t19-,25?,27+/m1/s1
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29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128094
PNG
(6-Methoxy-2-(2-methoxy-benzyl)-5-(2-morpholin-4-yl...)
Show SMILES COc1ccccc1Cn1ccc2n(CCN3CCOCC3)c3c(OC)cccc3c2c1=O
Show InChI InChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3
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67n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128096
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)N(Cc1c(F)cccc1Cl)C(C)C
Show InChI InChI=1S/C25H30ClFN4O3/c1-17(2)30(16-19-20(26)7-5-8-21(19)27)25(32)23-18-6-4-9-22(33-3)24(18)31(28-23)11-10-29-12-14-34-15-13-29/h4-9,17H,10-16H2,1-3H3
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69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128097
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1ccccc1CNC(=O)c1nn(CCN2CCOCC2)c2c(OC)cccc12
Show InChI InChI=1S/C23H28N4O4/c1-29-19-8-4-3-6-17(19)16-24-23(28)21-18-7-5-9-20(30-2)22(18)27(25-21)11-10-26-12-14-31-15-13-26/h3-9H,10-16H2,1-2H3,(H,24,28)
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77n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128098
PNG
(2-Ethyl-7-methoxy-1-(2-morpholin-4-yl-ethyl)-1H-in...)
Show SMILES CCc1c(C(=O)NC2[C@@]3(C)CC[C@H](C3)C2(C)C)c2cccc(OC)c2n1CCN1CCOCC1
Show InChI InChI=1S/C28H41N3O3/c1-6-21-23(25(32)29-26-27(2,3)19-10-11-28(26,4)18-19)20-8-7-9-22(33-5)24(20)31(21)13-12-30-14-16-34-17-15-30/h7-9,19,26H,6,10-18H2,1-5H3,(H,29,32)/t19-,26?,28+/m1/s1
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110n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50128093
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)
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146n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity against human cannabinoid receptor 2 in chinese hamster ovary cells using WIN-55212-2 mesylate[57-3H]


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128093
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indazole-3...)
Show SMILES COc1cccc2c(nn(CCN3CCOCC3)c12)C(=O)NC(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C27H29N5O3/c1-34-23-12-7-10-21-25(30-32(26(21)23)15-14-31-16-18-35-19-17-31)27(33)29-24(20-8-3-2-4-9-20)22-11-5-6-13-28-22/h2-13,24H,14-19H2,1H3,(H,29,33)
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162n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128100
PNG
(7-Methoxy-1-(2-morpholin-4-yl-ethyl)-1H-indole-3-c...)
Show SMILES COc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC1[C@@]2(C)CC[C@H](C2)C1(C)C
Show InChI InChI=1S/C26H37N3O3/c1-25(2)18-8-9-26(3,16-18)24(25)27-23(30)20-17-29(11-10-28-12-14-32-15-13-28)22-19(20)6-5-7-21(22)31-4/h5-7,17-18,24H,8-16H2,1-4H3,(H,27,30)/t18-,24?,26+/m1/s1
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245n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50128094
PNG
(6-Methoxy-2-(2-methoxy-benzyl)-5-(2-morpholin-4-yl...)
Show SMILES COc1ccccc1Cn1ccc2n(CCN3CCOCC3)c3c(OC)cccc3c2c1=O
Show InChI InChI=1S/C26H29N3O4/c1-31-22-8-4-3-6-19(22)18-28-11-10-21-24(26(28)30)20-7-5-9-23(32-2)25(20)29(21)13-12-27-14-16-33-17-15-27/h3-11H,12-18H2,1-2H3
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3.70E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity of compound against human cannabinoid receptor 1 in chinese hamster ovary cells by using radioligand CP-55940


J Med Chem 46: 2110-6 (2003)


Article DOI: 10.1021/jm020329q
BindingDB Entry DOI: 10.7270/Q2J67HPG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163251
PNG
(2-(4-(4-hydroxyphenylthio)phenyl)-1H-benzo[d]imida...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
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n/an/a 2.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163246
PNG
(2-[4-(3,4-Dichloro-phenylsulfamoyl)-phenyl]-1H-ben...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-7-4-13(10-16(15)22)26-30(28,29)14-5-1-11(2-6-14)20-24-17-8-3-12(19(23)27)9-18(17)25-20/h1-10,26H,(H2,23,27)(H,24,25)
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n/an/a 3.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163259
PNG
(2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoi...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1Cl
Show InChI InChI=1S/C21H16ClN3O2/c1-12-2-6-16(11-17(12)22)27-15-7-3-13(4-8-15)21-24-18-9-5-14(20(23)26)10-19(18)25-21/h2-11H,1H3,(H2,23,26)(H,24,25)
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n/an/a 4.40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163254
PNG
(2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H13ClF3N3O2/c22-16-7-6-14(10-15(16)21(23,24)25)30-13-4-1-11(2-5-13)20-27-17-8-3-12(19(26)29)9-18(17)28-20/h1-10H,(H2,26,29)(H,27,28)
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n/an/a 4.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163266
PNG
(2-[4-(3,4-Dichloro-phenoxy)-phenyl]-1H-benzoimidaz...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C20H13Cl2N3O2/c21-15-7-6-14(10-16(15)22)27-13-4-1-11(2-5-13)20-24-17-8-3-12(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25)
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n/an/a 5.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163264
PNG
(2-[4-(4-Chloro-benzenesulfonyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN3O3S/c21-14-4-8-16(9-5-14)28(26,27)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 6.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163255
PNG
(2-[4-(4-Chloro-phenylsulfanyl)-phenyl]-1H-benzoimi...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3OS/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 8.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163282
PNG
(2-[4-(4-Chloro-3-hydroxy-phenoxy)-phenyl]-1H-benzo...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(O)c2)cc1
Show InChI InChI=1S/C20H14ClN3O3/c21-15-7-6-14(10-18(15)25)27-13-4-1-11(2-5-13)20-23-16-8-3-12(19(22)26)9-17(16)24-20/h1-10,25H,(H2,22,26)(H,23,24)
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n/an/a 9.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163250
PNG
(2-[4-(3,4-Dimethyl-phenoxy)-phenyl]-1H-benzoimidaz...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1C
Show InChI InChI=1S/C22H19N3O2/c1-13-3-7-18(11-14(13)2)27-17-8-4-15(5-9-17)22-24-19-10-6-16(21(23)26)12-20(19)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163278
PNG
(2-[4-(Naphthalen-2-yloxy)-phenyl]-1H-benzoimidazol...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C24H17N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h1-14H,(H2,25,28)(H,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163270
PNG
(2-[4-(2-Fluoro-5-trifluoromethyl-phenoxy)-phenyl]-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H13F4N3O2/c22-15-7-4-13(21(23,24)25)10-18(15)30-14-5-1-11(2-6-14)20-27-16-8-3-12(19(26)29)9-17(16)28-20/h1-10H,(H2,26,29)(H,27,28)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163269
PNG
(2-[4-(4-Chloro-benzenesulfinyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN3O2S/c21-14-4-8-16(9-5-14)27(26)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163273
PNG
(2-[4-(4-Chloro-phenylsulfamoyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN4O3S/c21-14-4-6-15(7-5-14)25-29(27,28)16-8-1-12(2-9-16)20-23-17-10-3-13(19(22)26)11-18(17)24-20/h1-11,25H,(H2,22,26)(H,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM34064
PNG
(2-arylbenzimidazole | CHEMBL179583)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM34064
PNG
(2-arylbenzimidazole | CHEMBL179583)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163271
PNG
(2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-2-1-3-16(11-14)26-15-7-4-12(5-8-15)20-23-17-9-6-13(19(22)25)10-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163274
PNG
(2-(4-Phenylsulfamoyl-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H16N4O3S/c21-19(25)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)28(26,27)24-15-4-2-1-3-5-15/h1-12,24H,(H2,21,25)(H,22,23)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163260
PNG
(2-[4-(4-Methoxy-phenoxy)-phenyl]-1H-benzoimidazole...)
Show SMILES COc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C21H17N3O3/c1-26-15-7-9-17(10-8-15)27-16-5-2-13(3-6-16)21-23-18-11-4-14(20(22)25)12-19(18)24-21/h2-12H,1H3,(H2,22,25)(H,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163277
PNG
(2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carbox...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C21H17N3O2/c1-13-2-7-16(8-3-13)26-17-9-4-14(5-10-17)21-23-18-11-6-15(20(22)25)12-19(18)24-21/h2-12H,1H3,(H2,22,25)(H,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163249
PNG
(2-[4-(3,4-Dimethoxy-phenoxy)-phenyl]-1H-benzoimida...)
Show SMILES COc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1OC
Show InChI InChI=1S/C22H19N3O4/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-24-17-9-5-14(21(23)26)11-18(17)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
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