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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'sarli' and Initial = 'v'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300863
PNG
(CHEMBL568011 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H20ClN3O4/c1-29-19-10-13(11-20(30-2)21(19)31-3)23(28)25-14-8-9-16(24)15(12-14)22-26-17-6-4-5-7-18(17)27-22/h4-12H,1-3H3,(H,25,28)(H,26,27)
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n/an/a 79.8n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50249489
PNG
(CHEMBL514344 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,28,31)(H,29,30)
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n/an/a 97.9n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300862
PNG
(CHEMBL577049 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16ClN3O2/c1-27-15-9-6-13(7-10-15)21(26)23-14-8-11-17(22)16(12-14)20-24-18-4-2-3-5-19(18)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
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n/an/a 117n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300861
PNG
(CHEMBL567378 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H13ClF3N3O/c22-16-9-8-14(11-15(16)19-27-17-6-1-2-7-18(17)28-19)26-20(29)12-4-3-5-13(10-12)21(23,24)25/h1-11H,(H,26,29)(H,27,28)
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n/an/a 119n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50585538
PNG
(CHEMBL5087579)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
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TBA

Assay Description
Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human A549 cells preincubated for 30 mins followed by VN substra...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01468
BindingDB Entry DOI: 10.7270/Q2SN0DVG
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300860
PNG
(CHEMBL579397 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2)cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H14ClN3O/c21-16-11-10-14(22-20(25)13-6-2-1-3-7-13)12-15(16)19-23-17-8-4-5-9-18(17)24-19/h1-12H,(H,22,25)(H,23,24)
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n/an/a 163n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300859
PNG
(CHEMBL568022 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES Clc1ccc(NC(=O)c2ccc(cc2)C#N)cc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H13ClN4O/c22-17-10-9-15(24-21(27)14-7-5-13(12-23)6-8-14)11-16(17)20-25-18-3-1-2-4-19(18)26-20/h1-11H,(H,24,27)(H,25,26)
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n/an/a 185n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300858
PNG
(CHEMBL584688 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H19ClN4O/c1-27(2)16-10-7-14(8-11-16)22(28)24-15-9-12-18(23)17(13-15)21-25-19-5-3-4-6-20(19)26-21/h3-13H,1-2H3,(H,24,28)(H,25,26)
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n/an/a 190n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50585538
PNG
(CHEMBL5087579)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
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TBA

Assay Description
Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human WM 266-4 cells preincubated for 30 mins followed by VN sub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01468
BindingDB Entry DOI: 10.7270/Q2SN0DVG
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300857
PNG
(CHEMBL565554 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H13Cl2N3O/c21-13-7-5-12(6-8-13)20(26)23-14-9-10-16(22)15(11-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
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n/an/a 224n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300856
PNG
(CHEMBL583230 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H13ClFN3O/c21-16-10-9-14(23-20(26)12-5-7-13(22)8-6-12)11-15(16)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
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n/an/a 251n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300855
PNG
(CHEMBL578143 | N-(3-(1H-Benzo[d]imidazol-2-yl)-4-c...)
Show SMILES COc1ccccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16ClN3O2/c1-27-19-9-5-2-6-14(19)21(26)23-13-10-11-16(22)15(12-13)20-24-17-7-3-4-8-18(17)25-20/h2-12H,1H3,(H,23,26)(H,24,25)
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n/an/a 876n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84573
PNG
(VS-83)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2cccc(F)c12
Show InChI InChI=1S/C14H11FN2OS/c15-10-5-2-6-11-12(10)13(17-14(19)16-11)8-3-1-4-9(18)7-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 1.17E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50232973
PNG
(CHEMBL254129 | CYCLOPAMINE)
Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18|
Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
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n/an/a 1.31E+3n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Sonic hedgehog protein


(Mus musculus (Mouse))
BDBM50300854
PNG
(CHEMBL583231 | N-(3-(1H-Benzo[d]imidazol-2-yl)phen...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C26H27N3O4/c1-4-31-22-15-18(16-23(32-5-2)24(22)33-6-3)26(30)27-19-11-9-10-17(14-19)25-28-20-12-7-8-13-21(20)29-25/h7-16H,4-6H2,1-3H3,(H,27,30)(H,28,29)
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n/an/a 1.33E+3n/an/an/an/an/an/a



University of Leipzig

Curated by ChEMBL


Assay Description
Inhibition of SHH in mouse Shh-Light2 cells after 48 hrs by Gli1 reporter gene assay in presence of SAG


Bioorg Med Chem 17: 4943-54 (2009)


Article DOI: 10.1016/j.bmc.2009.06.008
BindingDB Entry DOI: 10.7270/Q2SJ1KPN
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50390492
PNG
(CHEMBL2071605)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H41N9O8/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1
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TBA

Assay Description
Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human WM 266-4 cells preincubated for 30 mins followed by VN sub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01468
BindingDB Entry DOI: 10.7270/Q2SN0DVG
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84575
PNG
(VS-54)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2OS/c15-9-4-5-11-12(7-9)16-14(19)17-13(11)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 1.81E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84577
PNG
(VS-94)
Show SMILES Cc1ccc2NC(=S)NC(c3cccc(O)c3)c2c1
Show InChI InChI=1S/C15H14N2OS/c1-9-5-6-13-12(7-9)14(17-15(19)16-13)10-3-2-4-11(18)8-10/h2-8,14,18H,1H3,(H2,16,17,19)
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n/an/a 2.73E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84576
PNG
(VS-87)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2cc(F)c(F)cc12
Show InChI InChI=1S/C14H10F2N2OS/c15-10-5-9-12(6-11(10)16)17-14(20)18-13(9)7-2-1-3-8(19)4-7/h1-6,13,19H,(H2,17,18,20)
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n/an/a 2.74E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50135174
PNG
(CHEMBL3747431)
Show SMILES Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O
Show InChI InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Dickkopf-related protein 1


(Mus musculus)
BDBM50135174
PNG
(CHEMBL3747431)
Show SMILES Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O
Show InChI InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of mouse DKK1 assessed as inhibition of DKK1-alkaline phophatase binding to LRP5 transfected in HEK293 cells


Eur J Med Chem 108: 28-38 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.024
BindingDB Entry DOI: 10.7270/Q2TF0067
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145410
PNG
(CHEMBL3764819)
Show SMILES CCCCOC(=O)c1c(NCc2ccc(OC)cc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C27H29N3O6/c1-5-6-13-35-27(33)21-22(28-15-16-7-10-18(34-4)11-8-16)24(31)25(32)26-23(21)29-19-12-9-17(30(2)3)14-20(19)36-26/h7-12,14,28,32H,5-6,13,15H2,1-4H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145403
PNG
(CHEMBL3764323)
Show SMILES COC(=O)c1c(N2CCOCC2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C20H21N3O6/c1-22(2)11-4-5-12-13(10-11)29-19-15(21-12)14(20(26)27-3)16(17(24)18(19)25)23-6-8-28-9-7-23/h4-5,10,25H,6-9H2,1-3H3
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n/an/a 3.74E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145379
PNG
(CHEMBL3765769)
Show SMILES COC(=O)c1c(Nc2ccc(C)cc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C23H21N3O5/c1-12-5-7-13(8-6-12)24-18-17(23(29)30-4)19-22(21(28)20(18)27)31-16-11-14(26(2)3)9-10-15(16)25-19/h5-11,24,28H,1-4H3
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n/an/a 3.77E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145384
PNG
(CHEMBL3764205)
Show SMILES COC(=O)c1c(NC2CCCCC2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C22H25N3O5/c1-25(2)13-9-10-14-15(11-13)30-21-18(24-14)16(22(28)29-3)17(19(26)20(21)27)23-12-7-5-4-6-8-12/h9-12,23,27H,4-8H2,1-3H3
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n/an/a 4.06E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145382
PNG
(CHEMBL3765415)
Show SMILES COC(=O)c1c(NCc2ccc(OC)cc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C24H23N3O6/c1-27(2)14-7-10-16-17(11-14)33-23-20(26-16)18(24(30)32-4)19(21(28)22(23)29)25-12-13-5-8-15(31-3)9-6-13/h5-11,25,29H,12H2,1-4H3
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n/an/a 4.33E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145409
PNG
(CHEMBL3765394)
Show SMILES COC(=O)c1c(NC2CCCC2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C21H23N3O5/c1-24(2)12-8-9-13-14(10-12)29-20-17(23-13)15(21(27)28-3)16(18(25)19(20)26)22-11-6-4-5-7-11/h8-11,22,26H,4-7H2,1-3H3
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n/an/a 4.61E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145380
PNG
(CHEMBL3765591)
Show SMILES COC(=O)c1c(Nc2ccc(OC)cc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C23H21N3O6/c1-26(2)13-7-10-15-16(11-13)32-22-19(25-15)17(23(29)31-4)18(20(27)21(22)28)24-12-5-8-14(30-3)9-6-12/h5-11,24,28H,1-4H3
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n/an/a 4.71E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145381
PNG
(CHEMBL3763214)
Show SMILES COC(=O)c1c(Nc2ccc(Cl)c(Cl)c2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C22H17Cl2N3O5/c1-27(2)11-5-7-14-15(9-11)32-21-18(26-14)16(22(30)31-3)17(19(28)20(21)29)25-10-4-6-12(23)13(24)8-10/h4-9,25,29H,1-3H3
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n/an/a 4.87E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145377
PNG
(CHEMBL3764713)
Show SMILES COC(=O)c1c(N)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C16H15N3O5/c1-19(2)7-4-5-8-9(6-7)24-15-12(18-8)10(16(22)23-3)11(17)13(20)14(15)21/h4-6,21H,17H2,1-3H3
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n/an/a 5.23E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145383
PNG
(CHEMBL3763953)
Show SMILES COC(=O)c1c(N2CCCCC2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C21H23N3O5/c1-23(2)12-7-8-13-14(11-12)29-20-16(22-13)15(21(27)28-3)17(18(25)19(20)26)24-9-5-4-6-10-24/h7-8,11,26H,4-6,9-10H2,1-3H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84578
PNG
(VS-17)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccc(Br)cc12
Show InChI InChI=1S/C14H11BrN2OS/c15-9-4-5-12-11(7-9)13(17-14(19)16-12)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 5.75E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84572
PNG
(VS-42)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H11ClN2OS/c15-9-4-5-12-11(7-9)13(17-14(19)16-12)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 5.77E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50145378
PNG
(CHEMBL3764972)
Show SMILES COC(=O)c1c(Nc2ccccc2)c(=O)c(O)c2oc3cc(ccc3nc12)N(C)C
Show InChI InChI=1S/C22H19N3O5/c1-25(2)13-9-10-14-15(11-13)30-21-18(24-14)16(22(28)29-3)17(19(26)20(21)27)23-12-7-5-4-6-8-12/h4-11,23,27H,1-3H3
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n/an/a 6.16E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50135174
PNG
(CHEMBL3747431)
Show SMILES Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O
Show InChI InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
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n/an/a 6.38E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


Article DOI: 10.1016/j.bmc.2016.01.025
BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84580
PNG
(VS-91)
Show SMILES Cc1ccc2C(NC(=S)Nc2c1)c1cccc(O)c1
Show InChI InChI=1S/C15H14N2OS/c1-9-5-6-12-13(7-9)16-15(19)17-14(12)10-3-2-4-11(18)8-10/h2-8,14,18H,1H3,(H2,16,17,19)
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n/an/a 7.59E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84574
PNG
(VS-12)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-14(18)16-13/h1-8,13,17H,(H2,15,16,18)
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n/an/a 7.60E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM84579
PNG
(VS-77)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H11FN2OS/c15-9-4-5-12-11(7-9)13(17-14(19)16-12)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 8.04E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50585539
PNG
(CHEMBL5091463)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)OCCSSCCOC(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
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n/an/a 9.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human WM 266-4 cells preincubated for 30 mins followed by VN sub...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01468
BindingDB Entry DOI: 10.7270/Q2SN0DVG
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50198309
PNG
((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1 |r,c:10|
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)/t11?,12-/m0/s1
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n/an/a 2.07E+4n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50585539
PNG
(CHEMBL5091463)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)OCCSSCCOC(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O |r|
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Article
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n/an/a 3.20E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human A549 cells preincubated for 30 mins followed by VN substra...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01468
BindingDB Entry DOI: 10.7270/Q2SN0DVG
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))
BDBM50390492
PNG
(CHEMBL2071605)
Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r|
Show InChI InChI=1S/C27H41N9O8/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of alphavbeta3 integrin receptor-mediated cell adhesion to vitronectin in human A549 cells preincubated for 30 mins followed by VN substra...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01468
BindingDB Entry DOI: 10.7270/Q2SN0DVG
More data for this
Ligand-Target Pair