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Compile Data Set for Download or QSAR

Found 342 hits from Chiron Corporation   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.200n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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2n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50039664
PNG
(CHEMBL91890 | N-Biphenyl-4-yl-N-[(carbamoylmethyl-...)
Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H36N4O3/c35-32(39)25-37(23-21-28-12-6-2-7-13-28)34(41)26-38(33(40)24-36-22-20-27-10-4-1-5-11-27)31-18-16-30(17-19-31)29-14-8-3-9-15-29/h1-19,36H,20-26H2,(H2,35,39)
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4n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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4n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50039665
PNG
(CHEMBL90649 | CHIR-4531 | N-Benzo[1,3]dioxol-5-ylm...)
Show SMILES NC(=O)CN(CCc1ccc(O)cc1)C(=O)CN(Cc1ccc2OCOc2c1)C(=O)CNCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H38N4O6/c37-34(42)23-39(18-17-26-11-14-30(41)15-12-26)36(44)24-40(22-27-13-16-32-33(19-27)46-25-45-32)35(43)21-38-20-31(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-16,19,31,38,41H,17-18,20-25H2,(H2,37,42)
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6n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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20n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50039661
PNG
(CHEMBL327549 | CHIR-4537 | N-({Carbamoylmethyl-[2-...)
Show SMILES COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)CNCC(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C37H42N4O6/c1-46-33-18-15-28(21-34(33)47-2)24-41(26-37(45)40(25-35(38)43)20-19-27-13-16-31(42)17-14-27)36(44)23-39-22-32(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-18,21,32,39,42H,19-20,22-26H2,1-2H3,(H2,38,43)
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31n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50039663
PNG
(CHEMBL89378 | CHIR-4534 | N-({Carbamoylmethyl-[2-(...)
Show SMILES CCCCCN(CC(=O)N(CCc1ccc(O)cc1)CC(N)=O)C(=O)CNCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H42N4O4/c1-2-3-10-20-36(25-33(41)37(24-31(34)39)21-19-26-15-17-29(38)18-16-26)32(40)23-35-22-30(27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,30,35,38H,2-3,10,19-25H2,1H3,(H2,34,39)
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46n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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1.40E+4n/an/an/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library


J Med Chem 37: 2678-85 (1994)


Article DOI: 10.1021/jm00043a007
BindingDB Entry DOI: 10.7270/Q2P26ZSP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKA


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185219
PNG
((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinu...)
Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1
Show InChI InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
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n/an/a 0.320n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185221
PNG
((S)-3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(quinu...)
Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CN4CCC3CC4)c2c1
Show InChI InChI=1S/C24H25N5O/c1-14-6-7-17-16(12-14)22(25-20-13-29-10-8-15(20)9-11-29)21(24(30)28-17)23-26-18-4-2-3-5-19(18)27-23/h2-7,12,15,20H,8-11,13H2,1H3,(H,26,27)(H2,25,28,30)/t20-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185218
PNG
((S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...)
Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@H]3CCNC3)c2c1
Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKA


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of PKCa


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a>1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of Kit


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50185178
PNG
(1-tert-butyl-3-(3-(5-(4-(piperidin-1-yl)piperidin-...)
Show SMILES CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)30-19-7-9-23-22(17-19)26(35-34-23)27-31-24-10-8-21(18-25(24)32-27)37-15-11-20(12-16-37)36-13-5-4-6-14-36/h7-10,17-18,20H,4-6,11-16H2,1-3H3,(H,31,32)(H,34,35)(H2,30,33,38)
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n/an/a 1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50185178
PNG
(1-tert-butyl-3-(3-(5-(4-(piperidin-1-yl)piperidin-...)
Show SMILES CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)30-19-7-9-23-22(17-19)26(35-34-23)27-31-24-10-8-21(18-25(24)32-27)37-15-11-20(12-16-37)36-13-5-4-6-14-36/h7-10,17-18,20H,4-6,11-16H2,1-3H3,(H,31,32)(H,34,35)(H2,30,33,38)
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n/an/a 1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50181308
PNG
(4-amino-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]i...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C20H21N7O/c1-26-6-8-27(9-7-26)12-2-3-14-15(10-12)24-19(23-14)17-18(21)13-4-5-22-11-16(13)25-20(17)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H3,21,25,28)
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n/an/a 1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185217
PNG
(3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...)
Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1
Show InChI InChI=1S/C21H20ClN5O/c22-12-7-8-15-14(10-12)19(24-13-4-3-9-23-11-13)18(21(28)27-15)20-25-16-5-1-2-6-17(16)26-20/h1-2,5-8,10,13,23H,3-4,9,11H2,(H,25,26)(H2,24,27,28)
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n/an/a 1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a>1n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CamK2alpha


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185224
PNG
(3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...)
Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCCNC3)c2c1
Show InChI InChI=1S/C22H23N5O/c1-13-8-9-16-15(11-13)20(24-14-5-4-10-23-12-14)19(22(28)27-16)21-25-17-6-2-3-7-18(17)26-21/h2-3,6-9,11,14,23H,4-5,10,12H2,1H3,(H,25,26)(H2,24,27,28)
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n/an/a 1.40n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50185181
PNG
(5-(4-(piperidin-1-yl)piperidin-1-yl)-2-(6-(trifluo...)
Show SMILES FC(F)(F)c1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C25H27F3N6/c26-25(27,28)16-4-6-19-21(14-16)31-32-23(19)24-29-20-7-5-18(15-22(20)30-24)34-12-8-17(9-13-34)33-10-2-1-3-11-33/h4-7,14-15,17H,1-3,8-13H2,(H,29,30)(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50185181
PNG
(5-(4-(piperidin-1-yl)piperidin-1-yl)-2-(6-(trifluo...)
Show SMILES FC(F)(F)c1ccc2c(n[nH]c2c1)-c1nc2ccc(cc2[nH]1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C25H27F3N6/c26-25(27,28)16-4-6-19-21(14-16)31-32-23(19)24-29-20-7-5-18(15-22(20)30-24)34-12-8-17(9-13-34)33-10-2-1-3-11-33/h4-7,14-15,17H,1-3,8-13H2,(H,29,30)(H,31,32)
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Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50181319
PNG
(4-amino-3-(6-morpholino-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES Nc1c(-c2nc3ccc(cc3[nH]2)N2CCOCC2)c(=O)[nH]c2cnccc12
Show InChI InChI=1S/C19H18N6O2/c20-17-12-3-4-21-10-15(12)24-19(26)16(17)18-22-13-2-1-11(9-14(13)23-18)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H3,20,24,26)
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n/an/a 2n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of AKT3 in presence of 0.2 uM ATP


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50185182
PNG
(2-(5-(benzyloxy)-1H-indazol-3-yl)-5-(4-(piperidin-...)
Show SMILES C(Oc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C31H34N6O/c1-3-7-22(8-4-1)21-38-25-10-12-27-26(20-25)30(35-34-27)31-32-28-11-9-24(19-29(28)33-31)37-17-13-23(14-18-37)36-15-5-2-6-16-36/h1,3-4,7-12,19-20,23H,2,5-6,13-18,21H2,(H,32,33)(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50185173
PNG
(1-tert-butyl-3-(3-(5-(4-(piperidin-1-yl)piperidin-...)
Show SMILES CC(C)(C)NC(=O)Nc1cccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c12
Show InChI InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)32-22-8-7-9-23-25(22)26(35-34-23)27-30-21-11-10-20(18-24(21)31-27)37-16-12-19(13-17-37)36-14-5-4-6-15-36/h7-11,18-19H,4-6,12-17H2,1-3H3,(H,30,31)(H,34,35)(H2,32,33,38)
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n/an/a 3n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of AKT3 in presence of 0.2 uM ATP


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50186356
PNG
(2-(5-(benzyloxy)-6-methoxy-1H-indazol-3-yl)-5-(4-(...)
Show SMILES COc1cc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2cc1OCc1ccccc1
Show InChI InChI=1S/C32H36N6O2/c1-39-29-20-27-25(19-30(29)40-21-22-8-4-2-5-9-22)31(36-35-27)32-33-26-11-10-24(18-28(26)34-32)38-16-12-23(13-17-38)37-14-6-3-7-15-37/h2,4-5,8-11,18-20,23H,3,6-7,12-17,21H2,1H3,(H,33,34)(H,35,36)
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n/an/a 3n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of c-ABL


Bioorg Med Chem Lett 16: 3789-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.043
BindingDB Entry DOI: 10.7270/Q2HD7WG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50181313
PNG
(4-amino-3-(1H-benzo[d]imidazol-2-yl)-1,7-naphthyri...)
Show SMILES Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12
Show InChI InChI=1S/C15H11N5O/c16-13-8-5-6-17-7-11(8)20-15(21)12(13)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H,18,19)(H3,16,20,21)
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n/an/a 3n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50181308
PNG
(4-amino-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]i...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C20H21N7O/c1-26-6-8-27(9-7-26)12-2-3-14-15(10-12)24-19(23-14)17-18(21)13-4-5-22-11-16(13)25-20(17)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H3,21,25,28)
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Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185220
PNG
(3-(1H-benzo[d]imidazol-2-yl)-6-methyl-4-(piperidin...)
Show SMILES Cc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1
Show InChI InChI=1S/C22H23N5O/c1-13-6-7-16-15(12-13)20(24-14-8-10-23-11-9-14)19(22(28)27-16)21-25-17-4-2-3-5-18(17)26-21/h2-7,12,14,23H,8-11H2,1H3,(H,25,26)(H2,24,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185216
PNG
(3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(piperidin...)
Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(NC3CCNCC3)c2c1
Show InChI InChI=1S/C21H20ClN5O/c22-12-5-6-15-14(11-12)19(24-13-7-9-23-10-8-13)18(21(28)27-15)20-25-16-3-1-2-4-17(16)26-20/h1-6,11,13,23H,7-10H2,(H,25,26)(H2,24,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50185173
PNG
(1-tert-butyl-3-(3-(5-(4-(piperidin-1-yl)piperidin-...)
Show SMILES CC(C)(C)NC(=O)Nc1cccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c12
Show InChI InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)32-22-8-7-9-23-25(22)26(35-34-23)27-30-21-11-10-20(18-24(21)31-27)37-16-12-19(13-17-37)36-14-5-4-6-15-36/h7-11,18-19H,4-6,12-17H2,1-3H3,(H,30,31)(H,34,35)(H2,32,33,38)
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n/an/a 4n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50181313
PNG
(4-amino-3-(1H-benzo[d]imidazol-2-yl)-1,7-naphthyri...)
Show SMILES Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12
Show InChI InChI=1S/C15H11N5O/c16-13-8-5-6-17-7-11(8)20-15(21)12(13)14-18-9-3-1-2-4-10(9)19-14/h1-7H,(H,18,19)(H3,16,20,21)
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n/an/a 4n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50181308
PNG
(4-amino-3-(6-(4-methylpiperazin-1-yl)-1H-benzo[d]i...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2ccncc2[nH]c1=O
Show InChI InChI=1S/C20H21N7O/c1-26-6-8-27(9-7-26)12-2-3-14-15(10-12)24-19(23-14)17-18(21)13-4-5-22-11-16(13)25-20(17)28/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H3,21,25,28)
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n/an/a 4n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against FGFR1


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50181311
PNG
(4-Amino-3-(6-morpholin-4-ylbenzimidazol-2-yl)hydro...)
Show SMILES Nc1c(-c2nc3ccc(cc3[nH]2)N2CCOCC2)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N5O2/c21-18-13-3-1-2-4-14(13)24-20(26)17(18)19-22-15-6-5-12(11-16(15)23-19)25-7-9-27-10-8-25/h1-6,11H,7-10H2,(H,22,23)(H3,21,24,26)
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n/an/a 4n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50181319
PNG
(4-amino-3-(6-morpholino-1H-benzo[d]imidazol-2-yl)-...)
Show SMILES Nc1c(-c2nc3ccc(cc3[nH]2)N2CCOCC2)c(=O)[nH]c2cnccc12
Show InChI InChI=1S/C19H18N6O2/c20-17-12-3-4-21-10-15(12)24-19(26)16(17)18-22-13-2-1-11(9-14(13)23-18)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H,22,23)(H3,20,24,26)
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n/an/a 4n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50188945
PNG
(CHEMBL379507 | N-(1-amino-3-(2,4-dichlorophenyl)pr...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)NC(CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)
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n/an/a 4.80n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of AKT3 in presence of 0.2 uM ATP


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of AKT3


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50185178
PNG
(1-tert-butyl-3-(3-(5-(4-(piperidin-1-yl)piperidin-...)
Show SMILES CC(C)(C)NC(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1
Show InChI InChI=1S/C29H38N8O/c1-29(2,3)33-28(38)30-19-7-9-23-22(17-19)26(35-34-23)27-31-24-10-8-21(18-25(24)32-27)37-15-11-20(12-16-37)36-13-5-4-6-14-36/h7-10,17-18,20H,4-6,11-16H2,1-3H3,(H,31,32)(H,34,35)(H2,30,33,38)
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n/an/a 5n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50181303
PNG
(4-amino-3-(3H-imidazo[4,5-b]pyridin-2-yl)-1,7-naph...)
Show SMILES Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2cnccc12
Show InChI InChI=1S/C14H10N6O/c15-11-7-3-5-16-6-9(7)19-14(21)10(11)13-18-8-2-1-4-17-12(8)20-13/h1-6H,(H3,15,19,21)(H,17,18,20)
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n/an/a 6n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


Bioorg Med Chem Lett 16: 2247-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.020
BindingDB Entry DOI: 10.7270/Q2NZ8777
More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50188913
PNG
(CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichloropheny...)
Show SMILES CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 16: 4163-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.092
BindingDB Entry DOI: 10.7270/Q24M945C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50186360
PNG
(CHEMBL209753 | N-(1-benzylpiperidin-4-yl)-3-(5-(4-...)
Show SMILES C(N1CCC(CC1)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C36H44N8/c1-3-7-26(8-4-1)25-42-19-13-27(14-20-42)37-28-9-11-32-31(23-28)35(41-40-32)36-38-33-12-10-30(24-34(33)39-36)44-21-15-29(16-22-44)43-17-5-2-6-18-43/h1,3-4,7-12,23-24,27,29,37H,2,5-6,13-22,25H2,(H,38,39)(H,40,41)
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n/an/a 7n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of c-ABL


Bioorg Med Chem Lett 16: 3789-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.043
BindingDB Entry DOI: 10.7270/Q2HD7WG3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185226
PNG
((R)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(pyrro...)
Show SMILES Clc1ccc2[nH]c(=O)c(-c3nc4ccccc4[nH]3)c(N[C@@H]3CCNC3)c2c1
Show InChI InChI=1S/C20H18ClN5O/c21-11-5-6-14-13(9-11)18(23-12-7-8-22-10-12)17(20(27)26-14)19-24-15-3-1-2-4-16(15)25-19/h1-6,9,12,22H,7-8,10H2,(H,24,25)(H2,23,26,27)/t12-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50185215
PNG
((S)-3-(1H-benzo[d]imidazol-2-yl)-4-(quinuclidin-3-...)
Show SMILES O=c1[nH]c2ccccc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H23N5O/c29-23-20(22-25-17-7-3-4-8-18(17)26-22)21(15-5-1-2-6-16(15)27-23)24-19-13-28-11-9-14(19)10-12-28/h1-8,14,19H,9-13H2,(H,25,26)(H2,24,27,29)/t19-/m1/s1
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n/an/a 7.60n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 16: 3121-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.059
BindingDB Entry DOI: 10.7270/Q2765DXT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50185182
PNG
(2-(5-(benzyloxy)-1H-indazol-3-yl)-5-(4-(piperidin-...)
Show SMILES C(Oc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCC(CC3)N3CCCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C31H34N6O/c1-3-7-22(8-4-1)21-38-25-10-12-27-26(20-25)30(35-34-27)31-32-28-11-9-24(19-29(28)33-31)37-17-13-23(14-18-37)36-15-5-2-6-16-36/h1,3-4,7-12,19-20,23H,2,5-6,13-18,21H2,(H,32,33)(H,34,35)
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n/an/a 8n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50185177
PNG
(2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-...)
Show SMILES CN(C1CCN(C)CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C21H24N6/c1-26-11-9-14(10-12-26)27(2)15-7-8-18-19(13-15)23-21(22-18)20-16-5-3-4-6-17(16)24-25-20/h3-8,13-14H,9-12H2,1-2H3,(H,22,23)(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Chiron Corporation

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 16: 3595-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.069
BindingDB Entry DOI: 10.7270/Q2BZ65N7
More data for this
Ligand-Target Pair
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