Found 11 hits of Enzyme Inhibition Constant Data 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
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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
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| CHEMBL
PC cid
PC sid
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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 | |
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
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antibodypedia
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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
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antibodypedia
antibodypedia
antibodypedia
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PC cid
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
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| 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
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MCE
MMDB
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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
antibodypedia
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CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| 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/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/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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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/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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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 | |
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