Found 3144 hits with Last Name = 'dominguez' and Initial = 'c' 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50069922
(Boropeptide analogue | CHEMBL102069)Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16?,17-,18?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for the binding affinity against thrombin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288406
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50451005
(CHEMBL290376 | DuP-714)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O |r| Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
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PC sid
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| PDB
PubMed
| 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor II |
Bioorg Med Chem Lett 9: 925-30 (1999)
BindingDB Entry DOI: 10.7270/Q2KS6QQ6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine protease 1
(Homo sapiens (Human)) | BDBM50069922
(Boropeptide analogue | CHEMBL102069)Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16?,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for selectivity against trypsin |
Bioorg Med Chem Lett 7: 79-84 (1997)
Checked by Author
Article DOI: 10.1016/S0960-894X(96)00584-7
BindingDB Entry DOI: 10.7270/Q2FN16P1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288406
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571467
(CHEMBL4850755)Show SMILES O=c1cc(nc([nH]1)N1CCCCC[C@@H]1Cc1ccccc1)N1CCOCC1 |r| | PDB
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| PC cid
PC sid
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| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146490
(3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19+/m1/s1 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289586
(3-Methyl-2'-sulfamoyl-biphenyl-4-carboxylic acid [...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(N)(=O)=O |TLB:30:28:25:23| Show InChI InChI=1S/C29H40BN5O5S/c1-17-14-18(21-8-5-6-9-22(21)41(33,37)38)11-12-20(17)26(36)35-25(10-7-13-34-27(31)32)30-39-24-16-19-15-23(28(19,2)3)29(24,4)40-30/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,35,36)(H4,31,32,34)(H2,33,37,38)/t19?,23?,24-,25+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571471
(CHEMBL4858310 | US11685734, Example 213)Show SMILES [H][C@]12C[C@@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB
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| PC cid
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| Article
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50084682
(1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(=O)(=O)NC(C)(C)C |TLB:30:28:25:23| Show InChI InChI=1S/C33H48BN5O5S/c1-20-17-21(24-11-8-9-12-25(24)45(41,42)39-31(2,3)4)14-15-23(20)29(40)38-28(13-10-16-37-30(35)36)34-43-27-19-22-18-26(32(22,5)6)33(27,7)44-34/h8-9,11-12,14-15,17,22,26-28,39H,10,13,16,18-19H2,1-7H3,(H,38,40)(H4,35,36,37)/t22?,26?,27-,28+,33+/m1/s1 | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50037480
((6R,11S)-6,11-Dimethyl-3-pentyl-1,2,3,4,5,6-hexahy...)Show SMILES CCCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:4:5:10:20.14.13,THB:19:20:10:5.7.6| Show InChI InChI=1S/C19H29NO/c1-4-5-6-10-20-11-9-19(3)14(2)18(20)12-15-7-8-16(21)13-17(15)19/h7-8,13-14,18,21H,4-6,9-12H2,1-3H3/t14-,18?,19-/m1/s1 | PDB
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| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571463
(CHEMBL4862803)Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1cc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB
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| PC cid
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| Article
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50000776
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-propyl-piperaz...)Show InChI InChI=1S/C15H22Cl2N2/c1-2-6-18-8-10-19(11-9-18)7-5-13-3-4-14(16)15(17)12-13/h3-4,12H,2,5-11H2,1H3 | PDB
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094092
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32) | PDB
MMDB
Reactome pathway
KEGG
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Similars
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor X |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50000069
(CHEMBL20377 | [2-(3,4-Dichloro-phenyl)-ethyl]-meth...)Show InChI InChI=1S/C15H22Cl2N2/c1-18(10-11-19-7-2-3-8-19)9-6-13-4-5-14(16)15(17)12-13/h4-5,12H,2-3,6-11H2,1H3 | PDB
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289591
(2'-Diethylsulfamoyl-3-methyl-biphenyl-4-carboxylic...)Show SMILES CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C33H48BN5O5S/c1-7-39(8-2)45(41,42)26-13-10-9-12-25(26)22-15-16-24(21(3)18-22)30(40)38-29(14-11-17-37-31(35)36)34-43-28-20-23-19-27(32(23,4)5)33(28,6)44-34/h9-10,12-13,15-16,18,23,27-29H,7-8,11,14,17,19-20H2,1-6H3,(H,38,40)(H4,35,36,37)/t23?,27?,28-,29+,33+/m1/s1 | PDB
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50000773
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-fluoro-prop...)Show InChI InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2 | PDB
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50000773
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-fluoro-prop...)Show InChI InChI=1S/C15H21Cl2FN2/c16-14-3-2-13(12-15(14)17)4-7-20-10-8-19(9-11-20)6-1-5-18/h2-3,12H,1,4-11H2 | PDB
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| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571476
(CHEMBL4852400 | US11685734, Example 215)Show SMILES C[C@@H]1CCN([C@H]1Cc1ccccc1)c1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB
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| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383200
(CHEMBL2032026)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CCO)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C28H25N5O5/c1-18-26(28(36)33(32(18)14-15-34)19-6-4-3-5-7-19)27(35)31-25-11-9-21(17-30-25)38-24-12-13-29-23-16-20(37-2)8-10-22(23)24/h3-13,16-17,34H,14-15H2,1-2H3,(H,30,31,35) | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289587
(3-Methyl-biphenyl-4-carboxylic acid [(R)-4-guanidi...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:30:28:25:23| Show InChI InChI=1S/C29H39BN4O3/c1-18-15-20(19-9-6-5-7-10-19)12-13-22(18)26(35)34-25(11-8-14-33-27(31)32)30-36-24-17-21-16-23(28(21,2)3)29(24,4)37-30/h5-7,9-10,12-13,15,21,23-25H,8,11,14,16-17H2,1-4H3,(H,34,35)(H4,31,32,33)/t21?,23?,24-,25+,29+/m1/s1 | PDB
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| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289575
(3-Methyl-2'-trifluoromethyl-biphenyl-4-carboxylic ...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1C(F)(F)F |TLB:30:28:25:23| Show InChI InChI=1S/C30H38BF3N4O3/c1-17-14-18(21-8-5-6-9-22(21)30(32,33)34)11-12-20(17)26(39)38-25(10-7-13-37-27(35)36)31-40-24-16-19-15-23(28(19,2)3)29(24,4)41-31/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,38,39)(H4,35,36,37)/t19?,23?,24-,25+,29+/m1/s1 | PDB
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| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146492
(3-Benzo[1,3]dioxol-5-yl-3-({1-[2-fluoro-5-(1,4,5,6...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cc(NC2=NCCCN2)ccc1F)c1ccc2OCOc2c1 |t:19| Show InChI InChI=1S/C25H26FN5O6/c26-17-4-3-16(29-25-27-6-1-7-28-25)10-19(17)31-12-15(9-22(31)32)24(35)30-18(11-23(33)34)14-2-5-20-21(8-14)37-13-36-20/h2-5,8,10,15,18H,1,6-7,9,11-13H2,(H,30,35)(H,33,34)(H2,27,28,29) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin). |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50550657
(CHEMBL4792737)Show SMILES COc1ccc2Sc3c(Cc2c1)cccc3-c1cc(=O)cc(o1)N1CCOCC1 | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor [1078-1345,H1094R,L1272V]
(Homo sapiens (Human)) | BDBM24466
(1-(2-hydroxy-2-methylpropyl)-N-{5-[(7-methoxyquino...)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H29N5O5/c1-19-27(29(37)35(20-8-6-5-7-9-20)34(19)18-30(2,3)38)28(36)33-26-13-11-22(17-32-26)40-25-14-15-31-24-16-21(39-4)10-12-23(24)25/h5-17,38H,18H2,1-4H3,(H,32,33,36) | PDB
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| 0.5 | -52.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Amgen
| Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ... |
J Med Chem 51: 3688-91 (2008)
Article DOI: 10.1021/jm800401t
BindingDB Entry DOI: 10.7270/Q2FF3QNG |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50000769
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(5-fluoro-pent...)Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2 | PDB
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| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-pentazocine as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50044714
(1-Butyl-4-[2-(3,4-dichloro-phenyl)-ethyl]-piperazi...)Show InChI InChI=1S/C16H24Cl2N2/c1-2-3-7-19-9-11-20(12-10-19)8-6-14-4-5-15(17)16(18)13-14/h4-5,13H,2-3,6-12H2,1H3 | PDB
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| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Ability to displace [3H](+)-pentazocine at sigma receptor in guinea pig brain membrane was determined |
J Med Chem 36: 2311-20 (1993)
BindingDB Entry DOI: 10.7270/Q2RF5VNP |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383169
(CHEMBL2032014)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C31H24N6O4/c1-36-29(20-12-15-32-16-13-20)28(31(39)37(36)21-6-4-3-5-7-21)30(38)35-27-11-9-23(19-34-27)41-26-14-17-33-25-18-22(40-2)8-10-24(25)26/h3-19H,1-2H3,(H,34,35,38) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383168
(CHEMBL2032015)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5ccccn5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C31H24N6O4/c1-36-29(24-10-6-7-16-32-24)28(31(39)37(36)20-8-4-3-5-9-20)30(38)35-27-14-12-22(19-34-27)41-26-15-17-33-25-18-21(40-2)11-13-23(25)26/h3-19H,1-2H3,(H,34,35,38) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383172
(CHEMBL2031912)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCOC5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H27FN4O5/c1-35-29(19-13-15-40-18-19)28(31(38)36(35)21-6-4-3-5-7-21)30(37)34-20-8-11-27(24(32)16-20)41-26-12-14-33-25-17-22(39-2)9-10-23(25)26/h3-12,14,16-17,19H,13,15,18H2,1-2H3,(H,34,37) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094100
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-iodo-2'-sul...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3I)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H20IN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32) | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor X |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571474
(CHEMBL4857803 | US11685734, Example 211)Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCOCC1 |r| | PDB
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289591
(2'-Diethylsulfamoyl-3-methyl-biphenyl-4-carboxylic...)Show SMILES CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C33H48BN5O5S/c1-7-39(8-2)45(41,42)26-13-10-9-12-25(26)22-15-16-24(21(3)18-22)30(40)38-29(14-11-17-37-31(35)36)34-43-28-20-23-19-27(32(23,4)5)33(28,6)44-34/h9-10,12-13,15-16,18,23,27-29H,7-8,11,14,17,19-20H2,1-6H3,(H,38,40)(H4,35,36,37)/t23?,27?,28-,29+,33+/m1/s1 | PDB
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| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289582
(3-Methyl-2'-methylsulfonylcarbamate-biphenyl-4-car...)Show SMILES COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C31H42BN5O7S/c1-18-15-19(22-9-6-7-10-23(22)45(40,41)37-29(39)42-5)12-13-21(18)27(38)36-26(11-8-14-35-28(33)34)32-43-25-17-20-16-24(30(20,2)3)31(25,4)44-32/h6-7,9-10,12-13,15,20,24-26H,8,11,14,16-17H2,1-5H3,(H,36,38)(H,37,39)(H4,33,34,35)/t20?,24?,25-,26+,31+/m1/s1 | PDB
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| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50084682
(1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(=O)(=O)NC(C)(C)C |TLB:30:28:25:23| Show InChI InChI=1S/C33H48BN5O5S/c1-20-17-21(24-11-8-9-12-25(24)45(41,42)39-31(2,3)4)14-15-23(20)29(40)38-28(13-10-16-37-30(35)36)34-43-27-19-22-18-26(32(22,5)6)33(27,7)44-34/h8-9,11-12,14-15,17,22,26-28,39H,10,13,16,18-19H2,1-7H3,(H,38,40)(H4,35,36,37)/t22?,26?,27-,28+,33+/m1/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50146497
(3-Benzo[1,3]dioxol-5-yl-3-({5-oxo-1-[3-(1,4,5,6-te...)Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21| Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28) | PDB
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PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 integrin |
Bioorg Med Chem Lett 14: 2905-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094096
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-chloro-2'-s...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Cl)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H20ClN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32) | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor X |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383194
(CHEMBL2032018)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cc(C)on5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H24N6O5/c1-18-15-24(34-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)33-26-12-10-21(17-32-26)40-25-13-14-31-23-16-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,33,37) | PDB
MMDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383206
(CHEMBL2032019)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C30H24N6O4S/c1-18-33-24(17-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)34-26-12-10-21(16-32-26)40-25-13-14-31-23-15-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094096
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-(3-chloro-2'-s...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Cl)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H20ClN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32) | PDB
MMDB
Reactome pathway
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against Coagulation factor X from rabbit purified enzyme |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383195
(CHEMBL2032031)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(O)CN)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C30H28FN5O5/c1-18-28(30(39)36(20-6-4-3-5-7-20)35(18)17-21(37)16-32)29(38)34-19-8-11-27(24(31)14-19)41-26-12-13-33-25-15-22(40-2)9-10-23(25)26/h3-15,21,37H,16-17,32H2,1-2H3,(H,34,38) | PDB
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UniChem
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| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383208
(CHEMBL2032016)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C31H24N6O4/c1-36-29(20-7-6-15-32-18-20)28(31(39)37(36)21-8-4-3-5-9-21)30(38)35-27-13-11-23(19-34-27)41-26-14-16-33-25-17-22(40-2)10-12-24(25)26/h3-19H,1-2H3,(H,34,35,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383198
(CHEMBL2032029)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1 Show InChI InChI=1S/C29H27N5O5/c1-18(35)17-33-19(2)27(29(37)34(33)20-7-5-4-6-8-20)28(36)32-26-12-10-22(16-31-26)39-25-13-14-30-24-15-21(38-3)9-11-23(24)25/h4-16,18,35H,17H2,1-3H3,(H,31,32,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50000769
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(5-fluoro-pent...)Show InChI InChI=1S/C17H25Cl2FN2/c18-16-5-4-15(14-17(16)19)6-9-22-12-10-21(11-13-22)8-3-1-2-7-20/h4-5,14H,1-3,6-13H2 | PDB
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| CHEMBL
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| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases
Curated by ChEMBL
| Assay Description
Binding affinity against sigma receptor from guinea pig brain, using [3H](+)-3-PPP as radioligand. |
J Med Chem 35: 2221-30 (1992)
BindingDB Entry DOI: 10.7270/Q24B31ZD |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383202
(CHEMBL2032023)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H27FN4O4/c1-19(2)18-35-20(3)29(31(38)36(35)22-8-6-5-7-9-22)30(37)34-21-10-13-28(25(32)16-21)40-27-14-15-33-26-17-23(39-4)11-12-24(26)27/h5-17H,1,18H2,2-4H3,(H,34,37) | PDB
MMDB
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UniChem
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383173
(CHEMBL2031911)Show SMILES COc1ccc2c(Oc3ccc(NC(=O)c4c(C5CCCO5)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 Show InChI InChI=1S/C31H27FN4O5/c1-35-29(27-9-6-16-40-27)28(31(38)36(35)20-7-4-3-5-8-20)30(37)34-19-10-13-26(23(32)17-19)41-25-14-15-33-24-18-21(39-2)11-12-22(24)25/h3-5,7-8,10-15,17-18,27H,6,9,16H2,1-2H3,(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50383197
(CHEMBL2029375)Show SMILES CC[C@H](O)Cn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H29FN4O5/c1-4-22(37)18-35-19(2)29(31(39)36(35)21-8-6-5-7-9-21)30(38)34-20-10-13-28(25(32)16-20)41-27-14-15-33-26-17-23(40-3)11-12-24(26)27/h5-17,22,37H,4,18H2,1-3H3,(H,34,38)/t22-/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of c-Met by HTRF assay |
J Med Chem 55: 1868-97 (2012)
Article DOI: 10.1021/jm201331s
BindingDB Entry DOI: 10.7270/Q23B616C |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50571475
(CHEMBL4853948 | US11685734, Example 292)Show SMILES [H][C@@]12C[C@]1([H])[C@H](Cc1ccccc1)N(C2)c1nc(cc(=O)[nH]1)N1CCO[C@H](C)C1 |r| | PDB
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease in p53 S15 phosphorylation using full length myc-tagged p53 as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00114
BindingDB Entry DOI: 10.7270/Q2F76HB1 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094092
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against Coagulation factor X from rabbit purified enzyme |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094115
(2-(5-Carbamimidoyl-1H-indol-3-yl)-N-[5-(2-sulfamoy...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cn3)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C22H20N6O3S/c23-22(24)13-5-7-18-17(9-13)15(12-26-18)10-21(29)28-20-8-6-14(11-27-20)16-3-1-2-4-19(16)32(25,30)31/h1-9,11-12,26H,10H2,(H3,23,24)(H2,25,30,31)(H,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor X |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
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