Found 34 hits with Last Name = 'fabre' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199036
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc2ncccc2c1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H21Cl2N5O3/c1-35-29(40)37(24-13-22(31)12-23(32)14-24)28(39)30(35)17-36(16-25(30)19-6-4-18(15-33)5-7-19)27(38)21-8-9-26-20(11-21)3-2-10-34-26/h2-14,25H,16-17H2,1H3/t25-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199031
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccc3ncccc3c2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H23Cl2N5O2/c1-35-29(39)37(25-13-23(31)12-24(32)14-25)28(38)30(35)18-36(17-26(30)21-7-4-19(15-33)5-8-21)16-20-6-9-27-22(11-20)3-2-10-34-27/h2-14,26H,16-18H2,1H3/t26-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199037
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)Show SMILES CN1C(=O)N(C(=O)[C@]11CNCC1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-19(28)26(16-7-14(21)6-15(22)8-16)18(27)20(25)11-24-10-17(20)13-4-2-12(9-23)3-5-13/h2-8,17,24H,10-11H2,1H3/t17?,20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303132
(US10137202, Compound TAM552)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:74| Show InChI InChI=1S/C60H95N9O14S/c1-9-26-68(59(77)54(42(6)11-3)64-57(76)48-17-14-16-27-67(48)8)49(41(4)5)39-50(82-29-10-2)58-63-47(40-84-58)56(75)62-45(38-44-19-21-46(70)22-20-44)37-43(7)55(74)65-66-60(78)83-36-35-81-34-33-80-32-31-79-30-25-61-51(71)18-13-12-15-28-69-52(72)23-24-53(69)73/h19-24,40-43,45,48-50,54,70H,9-18,25-39H2,1-8H3,(H,61,71)(H,62,75)(H,64,76)(H,65,74)(H,66,78)/t42-,43-,45+,48+,49+,50+,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet). |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199030
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1)C(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H20Cl2N4O6S/c1-31-26(37)33(21-11-19(28)10-20(29)12-21)25(36)27(31)15-32(14-23(27)17-4-2-16(13-30)3-5-17)40(38,39)22-8-6-18(7-9-22)24(34)35/h2-12,23H,14-15H2,1H3,(H,34,35)/t23-,27+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199035
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-7-isobutyl-1-me...)Show SMILES CC(C)CN1C[C@@H](c2ccc(cc2)C#N)[C@@]2(C1)N(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H24Cl2N4O2/c1-15(2)12-29-13-21(17-6-4-16(11-27)5-7-17)24(14-29)22(31)30(23(32)28(24)3)20-9-18(25)8-19(26)10-20/h4-10,15,21H,12-14H2,1-3H3/t21-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199039
(4-[(5S,9R)-7-benzyl-3-(3,5-dichloro-phenyl)-1-meth...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H22Cl2N4O2/c1-31-26(35)33(23-12-21(28)11-22(29)13-23)25(34)27(31)17-32(15-19-5-3-2-4-6-19)16-24(27)20-9-7-18(14-30)8-10-20/h2-13,24H,15-17H2,1H3/t24-,27+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199033
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
MCE
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| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199033
(5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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CHEMBL
MCE
MMDB
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| PDB
Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50154496
((R)-5-(4-Bromo-benzyl)-3-(3,5-dichloro-phenyl)-1,5...)Show SMILES CN1C(=O)N(C(=O)[C@@]1(C)Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C18H15BrCl2N2O2/c1-18(10-11-3-5-12(19)6-4-11)16(24)23(17(25)22(18)2)15-8-13(20)7-14(21)9-15/h3-9H,10H2,1-2H3/t18-/m1/s1 | PDB
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303131
(US10137202, Compound TAM471)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1 |r,c:83| Show InChI InChI=1S/C70H105N13O14S/c1-11-34-82(68(93)61(45(8)13-3)78-65(91)54-21-16-18-35-81(54)10)55(43(4)5)40-56(96-37-12-2)67-76-53(42-98-67)64(90)74-50(39-47-25-29-51(84)30-26-47)38-46(9)62(88)79-80-70(95)97-41-48-23-27-49(28-24-48)73-63(89)52(20-19-33-72-69(71)94)75-66(92)60(44(6)7)77-57(85)22-15-14-17-36-83-58(86)31-32-59(83)87/h23-32,42-46,50,52,54-56,60-61,84H,11-22,33-41H2,1-10H3,(H,73,89)(H,74,90)(H,75,92)(H,77,85)(H,78,91)(H,79,88)(H,80,95)(H3,71,72,94)/t45-,46-,50+,52+,54+,55+,56+,60+,61-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 29.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet). |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199038
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(CCCC(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O4/c1-28-23(34)30(19-10-17(25)9-18(26)11-19)22(33)24(28)14-29(8-2-3-21(31)32)13-20(24)16-6-4-15(12-27)5-7-16/h4-7,9-11,20H,2-3,8,13-14H2,1H3,(H,31,32)/t20-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160927
((6S,7aS)-6-(4''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303130
(US10137202, Compound TAM551)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)C([C@@H](C)CC)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1 |r,c:61| Show InChI InChI=1S/C70H105N11O14S/c1-13-35-80(54(43(5)6)40-55(94-37-14-2)66-76-53(42-96-66)63(86)74-51(38-47(11)68(90)91)39-48-24-19-17-20-25-48)67(89)60(45(9)15-3)78-65(88)61(46(10)16-4)79(12)70(93)95-41-49-28-30-50(31-29-49)73-62(85)52(26-23-34-72-69(71)92)75-64(87)59(44(7)8)77-56(82)27-21-18-22-36-81-57(83)32-33-58(81)84/h17,19-20,24-25,28-33,42-47,51-52,54-55,59-61H,13-16,18,21-23,26-27,34-41H2,1-12H3,(H,73,85)(H,74,86)(H,75,87)(H,77,82)(H,78,88)(H,90,91)(H3,71,72,92)/t45-,46-,47-,51+,52-,54+,55+,59-,60-,61?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet). |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303139
(US10137202, Compound TAM558)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1 |r,c:98| Show InChI InChI=1S/C79H122N14O19S/c1-11-35-92(76(103)69(53(8)13-3)88-73(101)62-21-16-18-36-91(62)10)63(51(4)5)48-64(110-38-12-2)75-86-61(50-113-75)72(100)84-58(47-55-25-29-59(94)30-26-55)46-54(9)70(98)89-90-79(106)111-45-44-109-43-42-108-41-40-107-39-34-82-78(105)112-49-56-23-27-57(28-24-56)83-71(99)60(20-19-33-81-77(80)104)85-74(102)68(52(6)7)87-65(95)22-15-14-17-37-93-66(96)31-32-67(93)97/h23-32,50-54,58,60,62-64,68-69,94H,11-22,33-49H2,1-10H3,(H,82,105)(H,83,99)(H,84,100)(H,85,102)(H,87,95)(H,88,101)(H,89,98)(H,90,106)(H3,80,81,104)/t53-,54-,58+,60-,62+,63+,64+,68-,69-/m0/s1 | PDB
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| US Patent
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet). |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303138
(US10137202, Compound TAM553)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccccc1 |r,c:92| Show InChI InChI=1S/C75H114N14O16S/c1-11-36-88(72(98)65(50(8)13-3)84-69(96)58-26-19-21-37-87(58)10)59(48(4)5)45-60(103-39-12-2)71-82-57(47-106-71)68(95)80-55(44-52-23-16-14-17-24-52)43-51(9)66(93)85-86-75(101)104-42-41-102-40-35-78-74(100)105-46-53-28-30-54(31-29-53)79-67(94)56(25-22-34-77-73(76)99)81-70(97)64(49(6)7)83-61(90)27-18-15-20-38-89-62(91)32-33-63(89)92/h14,16-17,23-24,28-33,47-51,55-56,58-60,64-65H,11-13,15,18-22,25-27,34-46H2,1-10H3,(H,78,100)(H,79,94)(H,80,95)(H,81,97)(H,83,90)(H,84,96)(H,85,93)(H,86,101)(H3,76,77,99)/t50-,51-,55+,56-,58+,59+,60+,64-,65-/m0/s1 | PDB
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| US Patent
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet). |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199032
(4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)CCC(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H20Cl2N4O5/c1-28-23(35)30(18-9-16(25)8-17(26)10-18)22(34)24(28)13-29(20(31)6-7-21(32)33)12-19(24)15-4-2-14(11-27)3-5-15/h2-5,8-10,19H,6-7,12-13H2,1H3,(H,32,33)/t19-,24+/m0/s1 | PDB
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| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160919
((6S,7aS)-6-[(4''-Bromo-biphenyl-3-ylmethyl)-methyl...)Show SMILES CN(Cc1cccc(c1)-c1ccc(Br)cc1)[C@H]1Cc2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1 Show InChI InChI=1S/C26H22BrCl2N3O2/c1-30(14-16-3-2-4-18(9-16)17-5-7-19(27)8-6-17)23-13-24-25(33)32(26(34)31(24)15-23)22-11-20(28)10-21(29)12-22/h2-12,23,33H,13-15H2,1H3/t23-/m0/s1 | PDB
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Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160925
(3''-{[(6S,7aS)-2-(3,5-Dichloro-phenyl)-1,3-dioxo-h...)Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)NCc1cccc(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C26H20Cl2N4O2/c27-20-9-21(28)11-23(10-20)32-25(33)24-12-22(15-31(24)26(32)34)30-14-17-2-1-3-19(8-17)18-6-4-16(13-29)5-7-18/h1-11,22,30,33H,12,14-15H2/t22-/m0/s1 | PDB
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| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160924
(3''-[(6S,7aS)-2-(3,5-Dichloro-phenyl)-1,3-dioxo-he...)Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C26H19Cl2N3O3/c27-20-9-21(28)11-22(10-20)31-25(32)24-12-23(14-30(24)26(31)33)34-15-17-2-1-3-19(8-17)18-6-4-16(13-29)5-7-18/h1-11,23,32H,12,14-15H2/t23-/m0/s1 | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160920
((6R,7aS)-6-(4''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)Show SMILES Oc1c2C[C@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m1/s1 | PDB
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| n/a | n/a | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160929
((6S,7aS)-6-(4''-Bromo-biphenyl-3-ylmethylsulfanyl)...)Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)SCc1cccc(c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C25H19BrCl2N2O2S/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m0/s1 | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50199034
(5-[(5R,9S)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...)Show SMILES CN1C(=O)N(C(=O)[C@@]11CN(Cc2cc(cs2)C(O)=O)C[C@@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m1/s1 | PDB
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| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC |
J Med Chem 49: 6946-9 (2006)
Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303129
(US10137202, Compound TAM467)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)C(NC(=O)[C@H]1CCCCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc1ccc(O)cc1 |r,c:61| Show InChI InChI=1S/C70H103N11O15S/c1-11-34-79(55(43(4)5)40-56(95-37-12-2)66-76-53(42-97-66)63(87)74-50(38-46(9)68(91)94-10)39-47-25-29-51(82)30-26-47)67(90)61(45(8)13-3)78-64(88)54-21-16-18-35-80(54)70(93)96-41-48-23-27-49(28-24-48)73-62(86)52(20-19-33-72-69(71)92)75-65(89)60(44(6)7)77-57(83)22-15-14-17-36-81-58(84)31-32-59(81)85/h23-32,42-46,50,52,54-56,60-61,82H,11-22,33-41H2,1-10H3,(H,73,86)(H,74,87)(H,75,89)(H,77,83)(H,78,88)(H3,71,72,92)/t45-,46-,50+,52-,54+,55+,56+,60-,61?/m0/s1 | PDB
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| US Patent
| n/a | n/a | 325 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet). |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160923
((6S,7aS)-6-(4''-Bromo-biphenyl-4-yloxy)-2-(3,5-dic...)Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)Oc1ccc(cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C24H17BrCl2N2O3/c25-16-5-1-14(2-6-16)15-3-7-20(8-4-15)32-21-12-22-23(30)29(24(31)28(22)13-21)19-10-17(26)9-18(27)11-19/h1-11,21,30H,12-13H2/t21-/m0/s1 | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160928
((6R,7aR)-6-(4''-Chloro-biphenyl-3-ylmethoxy)-2-(3,...)Show SMILES Oc1c2C[C@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H19Cl3N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m1/s1 | PDB
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| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160926
(3''-({[(6S,7aS)-2-(3,5-Dichloro-phenyl)-1,3-dioxo-...)Show SMILES CCN(Cc1cccc(c1)-c1ccc(cc1)C#N)[C@H]1Cc2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1 Show InChI InChI=1S/C28H24Cl2N4O2/c1-2-32(16-19-4-3-5-21(10-19)20-8-6-18(15-31)7-9-20)25-14-26-27(35)34(28(36)33(26)17-25)24-12-22(29)11-23(30)13-24/h3-13,25,35H,2,14,16-17H2,1H3/t25-/m0/s1 | PDB
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| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160921
((6S,7aS)-6-(3''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)Show SMILES Oc1c2C[C@@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1cccc(Br)c1 Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-2-5-17(8-18)16-4-1-3-15(7-16)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m0/s1 | PDB
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| n/a | n/a | 755 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/beta-2
(Homo sapiens (Human)) | BDBM50160920
((6R,7aS)-6-(4''-Bromo-biphenyl-3-ylmethoxy)-2-(3,5...)Show SMILES Oc1c2C[C@H](Cn2c(=O)n1-c1cc(Cl)cc(Cl)c1)OCc1cccc(c1)-c1ccc(Br)cc1 Show InChI InChI=1S/C25H19BrCl2N2O3/c26-18-6-4-16(5-7-18)17-3-1-2-15(8-17)14-33-22-12-23-24(31)30(25(32)29(23)13-22)21-10-19(27)9-20(28)11-21/h1-11,22,31H,12-14H2/t22-/m1/s1 | PDB
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| n/a | n/a | 935 | n/a | n/a | n/a | n/a | n/a | n/a |
Cerep
Curated by ChEMBL
| Assay Description
Inhibitory concentration against leukocyte function-associated antigen-1 in HSB-2 human lymphoblast and H1HeLa cell adhesion assay |
Bioorg Med Chem Lett 15: 1161-4 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.007
BindingDB Entry DOI: 10.7270/Q2NP23W2 |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303132
(US10137202, Compound TAM552)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1 |r,c:74| Show InChI InChI=1S/C60H95N9O14S/c1-9-26-68(59(77)54(42(6)11-3)64-57(76)48-17-14-16-27-67(48)8)49(41(4)5)39-50(82-29-10-2)58-63-47(40-84-58)56(75)62-45(38-44-19-21-46(70)22-20-44)37-43(7)55(74)65-66-60(78)83-36-35-81-34-33-80-32-31-79-30-25-61-51(71)18-13-12-15-28-69-52(72)23-24-53(69)73/h19-24,40-43,45,48-50,54,70H,9-18,25-39H2,1-8H3,(H,61,71)(H,62,75)(H,64,76)(H,65,74)(H,66,78)/t42-,43-,45+,48+,49+,50+,54-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P. |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303139
(US10137202, Compound TAM558)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1 |r,c:98| Show InChI InChI=1S/C79H122N14O19S/c1-11-35-92(76(103)69(53(8)13-3)88-73(101)62-21-16-18-36-91(62)10)63(51(4)5)48-64(110-38-12-2)75-86-61(50-113-75)72(100)84-58(47-55-25-29-59(94)30-26-55)46-54(9)70(98)89-90-79(106)111-45-44-109-43-42-108-41-40-107-39-34-82-78(105)112-49-56-23-27-57(28-24-56)83-71(99)60(20-19-33-81-77(80)104)85-74(102)68(52(6)7)87-65(95)22-15-14-17-37-93-66(96)31-32-67(93)97/h23-32,50-54,58,60,62-64,68-69,94H,11-22,33-49H2,1-10H3,(H,82,105)(H,83,99)(H,84,100)(H,85,102)(H,87,95)(H,88,101)(H,89,98)(H,90,106)(H3,80,81,104)/t53-,54-,58+,60-,62+,63+,64+,68-,69-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P. |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303138
(US10137202, Compound TAM553)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccccc1 |r,c:92| Show InChI InChI=1S/C75H114N14O16S/c1-11-36-88(72(98)65(50(8)13-3)84-69(96)58-26-19-21-37-87(58)10)59(48(4)5)45-60(103-39-12-2)71-82-57(47-106-71)68(95)80-55(44-52-23-16-14-17-24-52)43-51(9)66(93)85-86-75(101)104-42-41-102-40-35-78-74(100)105-46-53-28-30-54(31-29-53)79-67(94)56(25-22-34-77-73(76)99)81-70(97)64(49(6)7)83-61(90)27-18-15-20-38-89-62(91)32-33-63(89)92/h14,16-17,23-24,28-33,47-51,55-56,58-60,64-65H,11-13,15,18-22,25-27,34-46H2,1-10H3,(H,78,100)(H,79,94)(H,80,95)(H,81,97)(H,83,90)(H,84,96)(H,85,93)(H,86,101)(H3,76,77,99)/t50-,51-,55+,56-,58+,59+,60+,64-,65-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P. |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303131
(US10137202, Compound TAM471)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1 |r,c:83| Show InChI InChI=1S/C70H105N13O14S/c1-11-34-82(68(93)61(45(8)13-3)78-65(91)54-21-16-18-35-81(54)10)55(43(4)5)40-56(96-37-12-2)67-76-53(42-98-67)64(90)74-50(39-47-25-29-51(84)30-26-47)38-46(9)62(88)79-80-70(95)97-41-48-23-27-49(28-24-48)73-63(89)52(20-19-33-72-69(71)94)75-66(92)60(44(6)7)77-57(85)22-15-14-17-36-83-58(86)31-32-59(83)87/h23-32,42-46,50,52,54-56,60-61,84H,11-22,33-41H2,1-10H3,(H,73,89)(H,74,90)(H,75,92)(H,77,85)(H,78,91)(H,79,88)(H,80,95)(H3,71,72,94)/t45-,46-,50+,52+,54+,55+,56+,60+,61-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P. |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
Prolyl endopeptidase FAP
(Homo sapiens (Human)) | BDBM303129
(US10137202, Compound TAM467)Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)C(NC(=O)[C@H]1CCCCN1C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)OC)Cc1ccc(O)cc1 |r,c:61| Show InChI InChI=1S/C70H103N11O15S/c1-11-34-79(55(43(4)5)40-56(95-37-12-2)66-76-53(42-97-66)63(87)74-50(38-46(9)68(91)94-10)39-47-25-29-51(82)30-26-47)67(90)61(45(8)13-3)78-64(88)54-21-16-18-35-80(54)70(93)96-41-48-23-27-49(28-24-48)73-62(86)52(20-19-33-72-69(71)92)75-65(89)60(44(6)7)77-57(83)22-15-14-17-36-81-58(84)31-32-59(81)85/h23-32,42-46,50,52,54-56,60-61,82H,11-22,33-41H2,1-10H3,(H,73,86)(H,74,87)(H,75,89)(H,77,83)(H,78,88)(H3,71,72,92)/t45-,46-,50+,52-,54+,55+,56+,60-,61?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncomatryx Biopharma, S.L.
US Patent
| Assay Description
TPI; Tubulin Polymerization assay kit; Cytoskeleton, Cat. #BK011P. |
US Patent US10137202 (2018)
BindingDB Entry DOI: 10.7270/Q251419G |
More data for this
Ligand-Target Pair | |
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