Found 3002 hits with Last Name = 'salah' and Initial = 'e' 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 |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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MCE PDB UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50044004
(CHEMBL3356433)Show SMILES CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1 Show InChI InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50097721
(CHEMBL1879790 | EN300-11843)Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591082
(CHEMBL4790618)Show SMILES CCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591090
(CHEMBL2141887)Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50591091
(CHEMBL5169387)Show SMILES CC(C)C(=O)Nc1ncc(s1)C(=O)NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627791
(CVD-0019230)Show SMILES CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495599
(CVD-0016335 | STE-KUL-d79e3d6a-3)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl Show InChI InChI=1S/C23H38ClN5O5/c1-7-8-9-10-18(31)27-20(23(4,5)6)22(34)26-16(13-15(2)3)21(33)28-29(19(32)14-24)12-11-17(25)30/h1,15-16,20H,8-14H2,2-6H3,(H2,25,30)(H,26,34)(H,27,31)(H,28,33)/t16-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
LIM domain kinase 2
(Homo sapiens (Human)) | BDBM50072664
(CHEMBL3410036)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12 Show InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627915
(CVD-0019273)Show SMILES CC1(CS(=O)(=O)N2C[C@@H](C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2)CS(=O)(=O)C1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM625991
(EN300-11760) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626053
(EN300-17406) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495290
(CVD-0018692 | MAT-POS-e194df51-1)Show SMILES Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N Show InChI InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627860
(CVD-0018385 | EDJ-MED-be9e6f63-3)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627860
(CVD-0018385 | EDJ-MED-be9e6f63-3)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM625991
(EN300-11760) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495803
(CVD-0015332 | MAT-POS-e69ad64a-2)Show SMILES Clc1ccc2OCC(C(=O)N(C(=O)C=C)c3cncc4ccccc34)c2c1 Show InChI InChI=1S/C21H15ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h2-11,17H,1,12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50072664
(CHEMBL3410036)Show SMILES Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12 Show InChI InChI=1S/C22H21N5O2/c1-15-13-23-21-19(15)20(24-14-25-21)16-7-9-17(10-8-16)26-22(29)27(11-12-28)18-5-3-2-4-6-18/h2-10,13-14,28H,11-12H2,1H3,(H,26,29)(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627972
(CVD-0019478)Show SMILES CNC(=O)CN1CC(C(=O)Nc2cncc3cc(NS(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495598
(CVD-0016334 | STE-KUL-d79e3d6a-2)Show SMILES COC(=O)\C=C\C(=O)N(CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C Show InChI InChI=1S/C26H41N5O7/c1-8-9-10-11-20(33)29-23(26(4,5)6)25(37)28-18(16-17(2)3)24(36)30-31(15-14-19(27)32)21(34)12-13-22(35)38-7/h1,12-13,17-18,23H,9-11,14-16H2,2-7H3,(H2,27,32)(H,28,37)(H,29,33)(H,30,36)/b13-12+/t18-,23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626189
(EN300-60157) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628051
(CVD-0019468)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626102
(EN300-213378)Show SMILES NC12CC3CC(C1)CC(O)(C3)C2 |TLB:4:3:11:5.6.7,4:5:11:2.3.10,THB:7:5:2:11.8.10,7:8:2:4.5.6| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626053
(EN300-17406) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628026
(CVD-0019470)Show SMILES CCS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628060
(CVD-0019472)Show SMILES Clc1ccc2CN(CC(C(=O)Nc3cncc4cc(NS(=O)(=O)C5CC5)ccc34)c2c1)S(=O)(=O)CC1(CC1)C#N | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM429304
(CVD-0006354 | acs.jmedchem.1c00409_ST.426 | indole...)Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628063
(CVD-0019426)Show SMILES CNC(=O)CN1C(C)C(C(=O)Nc2cncc3cc(ccc23)S(C)(=O)=O)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628066
(CVD-0019645)Show SMILES Clc1ccc2CN(C[C@]3(CC(=O)N(C3=O)c3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628210
(ALP-POS-c59291d4-5) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628149
(CVD-0020128)Show SMILES CNC(=O)C1(CC1)N1C[C@@]2(CCN(C2=O)c2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
LIM domain kinase 1
(Homo sapiens (Human)) | BDBM50591101
(CHEMBL5209373)Show SMILES Cc1c2[nH]c3ccc(OC(=O)c4ccccc4)cc3c2c(C)c2c1cc[nH]c2=O | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01106 BindingDB Entry DOI: 10.7270/Q23R0XVH |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628069
(CVD-0019750)Show SMILES Clc1ccc2CN(C[C@]3(CCN(C3=O)c3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496258
(CVD-0013146 | JOH-MSK-46727e7b-1)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495439
(MAT-POS-4223bc15-11)Show SMILES CC1CCN(C1)S(=O)(=O)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1 Show InChI InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495439
(MAT-POS-4223bc15-11)Show SMILES CC1CCN(C1)S(=O)(=O)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1 Show InChI InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628143
(CVD-0020069)Show SMILES CNC(=O)CN1C[C@@]2(CCN(C2=O)c2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627628
(CVD-0017449 | EDJ-MED-015fb6b4-2)Show SMILES CNC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627628
(CVD-0017449 | EDJ-MED-015fb6b4-2)Show SMILES CNC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627953
(CVD-0018981)Show SMILES CNC(=O)C1(CC1)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |