Found 9 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 |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-XL assessed as inhibition of Bcl-XL-BAD derived peptide interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | |
Interleukin-2
(Homo sapiens (Human)) | BDBM50229786
(5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-P...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](\[#7+]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1cc(nn1-[#6])-c1ccc(-[#8]-[#6]-c2ccc(o2)-[#6](-[#8-])=O)c(Cl)c1Cl Show InChI InChI=1S/C30H37Cl2N7O6/c1-16(2)12-21(36-30(33)34)28(41)35-14-25(40)39-10-8-17(9-11-39)22-13-20(37-38(22)3)19-5-7-23(27(32)26(19)31)44-15-18-4-6-24(45-18)29(42)43/h4-7,13,16-17,21H,8-12,14-15H2,1-3H3,(H,35,41)(H,42,43)(H4,33,34,36) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to IL2 assessed as inhibition of IL2-IL2Ralpha interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | |
Cell division protein ZipA
(Escherichia coli (strain K12)) | BDBM50162319
(2-(4-(4-(2-(3-chloro-4-methylphenylamino)pyrimidin...)Show SMILES Cc1ccc(Nc2nccc(n2)-c2ccnc(c2)N2CCN(CC[NH3+])CC2)cc1Cl Show InChI InChI=1S/C22H26ClN7/c1-16-2-3-18(15-19(16)23)27-22-26-8-5-20(28-22)17-4-7-25-21(14-17)30-12-10-29(9-6-24)11-13-30/h2-5,7-8,14-15H,6,9-13,24H2,1H3,(H,26,27,28)/p+1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli ZipA assessed as inhibition of ZipA-FtsZ derived peptide interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bcl2-associated agonist of cell death
(Homo sapiens (Human)) | BDBM50373072
(CHEMBL402005)Show SMILES [O-][N+](=O)c1cc(ccc1NCCS1=CC=CC=C1)S(=O)(=O)NC(=O)c1ccc(cc1)-c1ccc(F)cc1 |c:15,17,t:13,(4.19,-10.53,;2.85,-9.76,;2.84,-8.22,;1.51,-10.54,;.19,-9.79,;-1.13,-10.55,;-1.14,-12.08,;.19,-12.85,;1.51,-12.08,;2.85,-12.85,;4.18,-12.08,;5.52,-12.85,;6.85,-12.08,;8.19,-12.85,;9.52,-12.08,;9.52,-10.54,;8.17,-9.77,;6.85,-10.55,;-2.46,-9.78,;-1.69,-8.45,;-3.21,-11.13,;-3.79,-9.02,;-5.13,-9.8,;-6.46,-9.04,;-5.12,-11.34,;-3.78,-12.11,;-3.77,-13.65,;-5.1,-14.42,;-6.44,-13.66,;-6.45,-12.13,;-5.09,-15.96,;-6.42,-16.73,;-6.42,-18.28,;-5.09,-19.05,;-5.09,-20.59,;-3.74,-18.28,;-3.75,-16.72,)| Show InChI InChI=1S/C26H22FN3O5S2/c27-22-10-8-20(9-11-22)19-4-6-21(7-5-19)26(31)29-37(34,35)23-12-13-24(25(18-23)30(32)33)28-14-17-36-15-2-1-3-16-36/h1-13,15-16,18,28H,14,17H2,(H,29,31) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Bcl-XL |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 assessed as inhibition of HDM2-p53 interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM31285
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to TNF |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cell division protein ZipA
(Escherichia coli (strain K12)) | BDBM50162321
(CHEMBL369180 | N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZ...)Show SMILES CN(C(C)=O)c1cccc(c1)-c1nnc2ccc(nn12)-c1ccccc1 Show InChI InChI=1S/C20H17N5O/c1-14(26)24(2)17-10-6-9-16(13-17)20-22-21-19-12-11-18(23-25(19)20)15-7-4-3-5-8-15/h3-13H,1-2H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 8.31E+4 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to Escherichia coli ZipA |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM31285
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |