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Compile Data Set for Download or QSAR

Found 15 hits of ec50 data for polymerid = 4851   
Target
(Institution)
LigandTarget
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
integrin alpha-L


(Mus musculus)
BDBM79612
PNG
(VU0424152-1 | [2-[2-chloro-5-(diethylsulfamoyl)ani...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CCCCC2)c1
Show InChI InChI=1S/C19H27ClN2O5S/c1-3-22(4-2)28(25,26)15-10-11-16(20)17(12-15)21-18(23)13-27-19(24)14-8-6-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3,(H,21,23)
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n/an/an/an/a 26n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79605
PNG
(N-(4-acetylphenyl)-1-(4-methoxyphenyl)sulfonyl-2-p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C20H22N2O5S/c1-14(23)15-5-7-16(8-6-15)21-20(24)19-4-3-13-22(19)28(25,26)18-11-9-17(27-2)10-12-18/h5-12,19H,3-4,13H2,1-2H3,(H,21,24)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM42661
PNG
((6Z)-6-(2-amino-5-phenyl-1H-pyrimidin-6-ylidene)-3...)
Show SMILES CCOc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-2-23-13-8-9-14(16(22)10-13)17-15(11-20-18(19)21-17)12-6-4-3-5-7-12/h3-11,22H,2H2,1H3,(H2,19,20,21)
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n/an/an/an/a 173n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79616
PNG
(2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-c...)
Show SMILES CN(CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C21H24ClN3O5S/c1-24(12-15-4-7-19-20(10-15)30-14-29-19)13-21(26)23-18-11-16(5-6-17(18)22)31(27,28)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,23,26)
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n/an/an/an/a 197n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79608
PNG
(N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfo...)
Show SMILES CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H26N4O4S/c1-2-30-15-21(27)23-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22-24-19-5-3-4-6-20(19)25-22/h3-10,16H,2,11-15H2,1H3,(H,23,27)(H,24,25)
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n/an/an/an/a 246n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79603
PNG
((3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)-(3,...)
Show SMILES Cc1cc(C)n(n1)C(=O)c1sc2cc(F)ccc2c1Cl
Show InChI InChI=1S/C14H10ClFN2OS/c1-7-5-8(2)18(17-7)14(19)13-12(15)10-4-3-9(16)6-11(10)20-13/h3-6H,1-2H3
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n/an/an/an/a 299n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79611
PNG
(3-bromo-1-adamantanecarboxylic acid [2-[3-(4-morph...)
Show SMILES BrC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H29BrN2O6S/c24-23-12-16-8-17(13-23)11-22(10-16,15-23)21(28)32-14-20(27)25-18-2-1-3-19(9-18)33(29,30)26-4-6-31-7-5-26/h1-3,9,16-17H,4-8,10-15H2,(H,25,27)
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n/an/an/an/a 1.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79609
PNG
(5-chloranyl-2-(4-piperidin-1-ylcarbonylphenyl)-3a,...)
Show SMILES Oc1c2CC=C(Cl)Cc2c(O)n1-c1ccc(cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21ClN2O3/c21-14-6-9-16-17(12-14)20(26)23(19(16)25)15-7-4-13(5-8-15)18(24)22-10-2-1-3-11-22/h4-8,25-26H,1-3,9-12H2
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n/an/an/an/a 9.02E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79610
PNG
(4-(4-cyclopentylpiperazino)sulfonylbenzoic acid et...)
Show SMILES CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C18H26N2O4S/c1-2-24-18(21)15-7-9-17(10-8-15)25(22,23)20-13-11-19(12-14-20)16-5-3-4-6-16/h7-10,16H,2-6,11-14H2,1H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79604
PNG
(2-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)prop...)
Show SMILES Cc1cc(Cl)c(OCCCSc2nc(C)cc(=O)[nH]2)c(Br)c1
Show InChI InChI=1S/C15H16BrClN2O2S/c1-9-6-11(16)14(12(17)7-9)21-4-3-5-22-15-18-10(2)8-13(20)19-15/h6-8H,3-5H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 1.71E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79607
PNG
(1-[3-[(3,4-difluoroanilino)-oxomethyl]-4-fluorophe...)
Show SMILES CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C21H21F3N2O5S/c1-2-31-21(28)13-4-3-9-26(12-13)32(29,30)15-6-8-17(22)16(11-15)20(27)25-14-5-7-18(23)19(24)10-14/h5-8,10-11,13H,2-4,9,12H2,1H3,(H,25,27)
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n/an/an/an/a 1.93E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79614
PNG
(4-chloranyl-N-(cyclohexylmethyl)-3-morpholin-4-yls...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C18H25ClN2O4S/c19-16-7-6-15(18(22)20-13-14-4-2-1-3-5-14)12-17(16)26(23,24)21-8-10-25-11-9-21/h6-7,12,14H,1-5,8-11,13H2,(H,20,22)
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n/an/an/an/a 2.01E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79613
PNG
(3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylpheny...)
Show SMILES COCc1c(oc2ccccc12)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H24N2O5S/c1-28-15-19-18-10-3-4-11-20(18)29-21(19)22(25)23-16-8-7-9-17(14-16)30(26,27)24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,25)
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n/an/an/an/a 2.47E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79615
PNG
(1-(2-methylbenzoyl)-N-(4-methyl-3-piperidin-1-ylsu...)
Show SMILES Cc1ccccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C26H33N3O4S/c1-19-8-4-5-9-23(19)26(31)28-16-12-21(13-17-28)25(30)27-22-11-10-20(2)24(18-22)34(32,33)29-14-6-3-7-15-29/h4-5,8-11,18,21H,3,6-7,12-17H2,1-2H3,(H,27,30)
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n/an/an/an/a 2.91E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
integrin alpha-L


(Mus musculus)
BDBM79606
PNG
(4-[[2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]p...)
Show SMILES OC(=O)C1CCC(Cn2c(SCc3cc(=O)n4cc(Cl)ccc4n3)nc3ccsc3c2=O)CC1
Show InChI InChI=1S/C23H21ClN4O4S2/c24-15-5-6-18-25-16(9-19(29)27(18)11-15)12-34-23-26-17-7-8-33-20(17)21(30)28(23)10-13-1-3-14(4-2-13)22(31)32/h5-9,11,13-14H,1-4,10,12H2,(H,31,32)
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n/an/an/an/a 5.19E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair