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Compile Data Set for Download or QSAR

Found 19 hits of ki data for polymerid = 7603   
Target
(Institution)
LigandTarget
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
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50309147
PNG
((2R,3R)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCCc1cccs1
Show InChI InChI=1S/C20H23ClN2O4S/c21-14-5-1-4-13(12-14)16-7-2-10-23(16)20(27)18(25)17(24)19(26)22-9-8-15-6-3-11-28-15/h1,3-6,11-12,16-18,24-25H,2,7-10H2,(H,22,26)/t16?,17-,18-/m1/s1
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29n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute Cambridge

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50342959
PNG
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccccc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C27H28N6O4S/c1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21/h3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36)/t16-,22-,23-,24-/m1/s1
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120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50342963
PNG
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C25H27ClN4O4/c1-16(17-8-10-20(11-9-17)30-14-4-12-27-30)28-24(33)22(31)23(32)25(34)29-13-3-7-21(29)18-5-2-6-19(26)15-18/h2,4-6,8-12,14-16,21-23,31-32H,3,7,13H2,1H3,(H,28,33)/t16-,21-,22-,23-/m1/s1
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166n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50342963
PNG
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C25H27ClN4O4/c1-16(17-8-10-20(11-9-17)30-14-4-12-27-30)28-24(33)22(31)23(32)25(34)29-13-3-7-21(29)18-5-2-6-19(26)15-18/h2,4-6,8-12,14-16,21-23,31-32H,3,7,13H2,1H3,(H,28,33)/t16-,21-,22-,23-/m1/s1
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166n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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245n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50309132
PNG
((2R,3R)-4-(4-(2-chlorophenyl)piperazin-1-yl)-2,3-d...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCN(CC1)c1ccccc1Cl)C(=O)NCCc1cccs1
Show InChI InChI=1S/C20H24ClN3O4S/c21-15-5-1-2-6-16(15)23-9-11-24(12-10-23)20(28)18(26)17(25)19(27)22-8-7-14-4-3-13-29-14/h1-6,13,17-18,25-26H,7-12H2,(H,22,27)/t17-,18-/m1/s1
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400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute Cambridge

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50343959
PNG
(CHEMBL1779630 | rac-(2R,3R)-N-(4-(1H-pyrazol-1-yl)...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C24H25ClN4O4/c25-18-5-1-4-17(14-18)20-6-2-12-28(20)24(33)22(31)21(30)23(32)26-15-16-7-9-19(10-8-16)29-13-3-11-27-29/h1,3-5,7-11,13-14,20-22,30-31H,2,6,12,15H2,(H,26,32)/t20?,21-,22-/m1/s1
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602n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50309153
PNG
((2R,3R)-N-(benzofuran-2-ylmethyl)-2,3-dihydroxy-4-...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1cc2ccccc2o1
Show InChI InChI=1S/C23H24N2O5/c26-20(22(28)24-14-17-13-16-9-4-5-11-19(16)30-17)21(27)23(29)25-12-6-10-18(25)15-7-2-1-3-8-15/h1-5,7-9,11,13,18,20-21,26-27H,6,10,12,14H2,(H,24,28)/t18?,20-,21-/m1/s1
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734n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute Cambridge

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50342945
PNG
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)
Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(NC2CC2)n1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C25H30N6O4S/c1-15(16-5-9-18(10-6-16)31-13-3-11-26-31)27-23(34)21(32)22(33)24(35)30-12-2-4-20(30)19-14-36-25(29-19)28-17-7-8-17/h3,5-6,9-11,13-15,17,20-22,32-33H,2,4,7-8,12H2,1H3,(H,27,34)(H,28,29)/t15-,20-,21-,22-/m1/s1
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1.35E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50265114
PNG
(CHEMBL495502 | N-((2R,6S)-4-(2-(hydroxyamino)-2-ox...)
Show SMILES C[C@H]1C[C@](CC(=O)NO)(C[C@@H](C)N1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C27H32N4O4/c1-17-12-21(23-6-4-5-7-24(23)29-17)16-35-22-10-8-20(9-11-22)26(33)30-27(15-25(32)31-34)13-18(2)28-19(3)14-27/h4-12,18-19,28,34H,13-16H2,1-3H3,(H,30,33)(H,31,32)/t18-,19+,27+
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>3.00E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM26806
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)-1...)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)21-27-17-3-1-2-4-18(17)29(21)11-13-5-7-14(8-6-13)19(30)26-16-9-10-33-12-15(16)20(31)28-32/h1-8,15-16,32H,9-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50309154
PNG
((2R,3R)-N-(2-(4-benzylthiophen-2-yl)ethyl)-2,3-dih...)
Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCCc1cc(Cc2ccccc2)cs1
Show InChI InChI=1S/C27H30N2O4S/c30-24(25(31)27(33)29-15-7-12-23(29)21-10-5-2-6-11-21)26(32)28-14-13-22-17-20(18-34-22)16-19-8-3-1-4-9-19/h1-6,8-11,17-18,23-25,30-31H,7,12-16H2,(H,28,32)/t23?,24-,25-/m1/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute Cambridge

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50292683
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-phenyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C30H28N2O5/c1-2-36-29(34)30(18-25(30)28(33)32-35)17-20-12-14-23(15-13-20)37-19-22-16-27(21-8-4-3-5-9-21)31-26-11-7-6-10-24(22)26/h3-16,25,35H,2,17-19H2,1H3,(H,32,33)/t25-,30+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM23487
PNG
((1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)...)
Show SMILES Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1
Show InChI InChI=1S/C23H23N3O4/c1-14-10-16(18-4-2-3-5-20(18)25-14)13-30-17-8-6-15(7-9-17)11-23(22(24)28)12-19(23)21(27)26-29/h2-10,19,29H,11-13H2,1H3,(H2,24,28)(H,26,27)/t19-,23+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM26524
PNG
((1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)met...)
Show SMILES NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C28H24FN3O4/c29-22-12-17(14-28(27(30)34)15-21(28)26(33)32-35)10-11-25(22)36-16-19-13-24(18-6-2-1-3-7-18)31-23-9-5-4-8-20(19)23/h1-13,21,35H,14-16H2,(H2,30,34)(H,32,33)/t21-,28+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50292682
PNG
((1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)meth...)
Show SMILES CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C30H28FN3O4/c1-34(2)29(36)30(17-23(30)28(35)33-37)16-19-12-13-27(24(31)14-19)38-18-21-15-26(20-8-4-3-5-9-20)32-25-11-7-6-10-22(21)25/h3-15,23,37H,16-18H2,1-2H3,(H,33,35)/t23-,30+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50292681
PNG
((1S,2R)-N-hydroxy-2-((S)-2-(hydroxymethyl)pyrrolid...)
Show SMILES OC[C@@H]1CCCN1C(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C33H33N3O5/c37-20-25-9-6-16-36(25)32(39)33(19-28(33)31(38)35-40)18-22-12-14-26(15-13-22)41-21-24-17-30(23-7-2-1-3-8-23)34-29-11-5-4-10-27(24)29/h1-5,7-8,10-15,17,25,28,37,40H,6,9,16,18-21H2,(H,35,38)/t25-,28+,33-/m0/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50292680
PNG
((1S,2R)-2-cyano-N-hydroxy-2-(4-((2-phenylquinolin-...)
Show SMILES ONC(=O)[C@H]1C[C@]1(Cc1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1)C#N
Show InChI InChI=1S/C28H23N3O3/c29-18-28(16-24(28)27(32)31-33)15-19-10-12-22(13-11-19)34-17-21-14-26(20-6-2-1-3-7-20)30-25-9-5-4-8-23(21)25/h1-14,24,33H,15-17H2,(H,31,32)/t24-,28-/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50292684
PNG
((1R,2S)-ethyl 2-(hydroxycarbamoyl)-1-(4-((2-methyl...)
Show SMILES CCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C25H26N2O5/c1-3-31-24(29)25(14-21(25)23(28)27-30)13-17-8-10-19(11-9-17)32-15-18-12-16(2)26-22-7-5-4-6-20(18)22/h4-12,21,30H,3,13-15H2,1-2H3,(H,27,28)/t21-,25+/m1/s1
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>1.00E+7n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Citation and Details
More data for this
Ligand-Target Pair