Found 99 hits with Last Name = 'hrnciar' and Initial = 'p' 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 |
|---|
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287622
(CHEMBL4160876)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287594
(Asunaprevir | BMS 650032 | BMS-650032)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287595
(CHEMBL3921126)Show SMILES CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ncc(OC)c2ccc(Cl)cc12)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C35H48ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h10,13-14,17,19,21-22,25,27H,9,11-12,15-16,18H2,1-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287648
(CHEMBL3895075)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C36H48ClN5O9S/c1-34(2,3)28(39-33(46)51-35(4,5)6)31(44)42-18-21(50-30-24-14-20(37)10-13-23(24)27(49-7)17-38-30)15-26(42)29(43)40-36(16-25(36)19-8-9-19)32(45)41-52(47,48)22-11-12-22/h10,13-14,17,19,21-22,25-26,28H,8-9,11-12,15-16,18H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t21-,25+,26+,28-,36-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287621
(CHEMBL4171493)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@]2(C[C@@H]2C(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22-,23+,25-,34+/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287586
(CHEMBL4176000)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H46ClN5O9S/c1-18-15-34(18,30(43)39-50(45,46)21-10-11-21)38-27(41)24-14-20(48-28-23-13-19(35)9-12-22(23)25(47-8)16-36-28)17-40(24)29(42)26(32(2,3)4)37-31(44)49-33(5,6)7/h9,12-13,16,18,20-21,24,26H,10-11,14-15,17H2,1-8H3,(H,37,44)(H,38,41)(H,39,43)/t18-,20-,24+,26-,34-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287588
(CHEMBL4177477)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2CC(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C35H46ClF2N5O9S/c1-33(2,3)27(40-32(47)52-34(4,5)6)30(45)43-17-20(51-29-23-13-19(36)8-11-22(23)25(50-7)16-39-29)14-24(43)28(44)41-35(15-18(35)12-26(37)38)31(46)42-53(48,49)21-9-10-21/h8,11,13,16,18,20-21,24,26-27H,9-10,12,14-15,17H2,1-7H3,(H,40,47)(H,41,44)(H,42,46)/t18-,20-,24+,27-,35-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287685
(CHEMBL4168149)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C(F)(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H43ClF3N5O9S/c1-31(2,3)25(40-30(47)52-32(4,5)6)28(45)43-16-18(51-27-21-12-17(35)8-11-20(21)23(50-7)15-39-27)13-22(43)26(44)41-33(14-24(33)34(36,37)38)29(46)42-53(48,49)19-9-10-19/h8,11-12,15,18-19,22,24-25H,9-10,13-14,16H2,1-7H3,(H,40,47)(H,41,44)(H,42,46)/t18-,22+,24-,25-,33-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202759
(CHEMBL231720 | N-(4-(4-amino-1-methyl-1H-pyrazolo[...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C)c2ncnc(N)c12 Show InChI InChI=1S/C23H21N7O2/c1-29-16-7-5-4-6-13(16)10-17(29)23(31)27-15-9-8-14(11-18(15)32-3)20-19-21(24)25-12-26-22(19)30(2)28-20/h4-12H,1-3H3,(H,27,31)(H2,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287587
(CHEMBL4159744)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC2(CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C33H44ClN5O9S/c1-31(2,3)25(36-30(43)48-32(4,5)6)28(41)39-17-19(47-27-22-14-18(34)8-11-21(22)24(46-7)16-35-27)15-23(39)26(40)37-33(12-13-33)29(42)38-49(44,45)20-9-10-20/h8,11,14,16,19-20,23,25H,9-10,12-13,15,17H2,1-7H3,(H,36,43)(H,37,40)(H,38,42)/t19-,23+,25-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202737
(CHEMBL395665 | N-(4-(4-amino-7-(3-((1r,4r)-4-amino...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)| Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202757
(CHEMBL396359 | N-(4-(4-amino-7-(3-oxo-3-(piperidin...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2C(CN=C(N)c12)C=CC(=O)NC1CCNCC1 |w:31.35,t:30| Show InChI InChI=1S/C32H34N6O3S/c1-38-25-6-4-3-5-20(25)15-26(38)32(40)37-24-9-7-19(16-27(24)41-2)23-18-42-30-21(17-35-31(33)29(23)30)8-10-28(39)36-22-11-13-34-14-12-22/h3-10,15-16,18,21-22,34H,11-14,17H2,1-2H3,(H2,33,35)(H,36,39)(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202733
(4-amino-N-(2-(dimethylamino)ethyl)-3-(3-methoxy-4-...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN(C)C Show InChI InChI=1S/C29H30N6O3S/c1-34(2)12-11-31-28(36)19-15-32-27(30)25-20(16-39-26(19)25)17-9-10-21(24(14-17)38-4)33-29(37)23-13-18-7-5-6-8-22(18)35(23)3/h5-10,13-16H,11-12H2,1-4H3,(H2,30,32)(H,31,36)(H,33,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202739
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12 Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202741
(CHEMBL233958 | N-(4-(4-amino-7-(3-(4-hydroxypiperi...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12 Show InChI InChI=1S/C32H33N5O3S/c1-36-26-8-4-3-6-21(26)16-27(36)32(39)35-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-34-31(33)29(24)30)7-5-13-37-14-11-23(38)12-15-37/h3-10,16-19,23,38H,11-15H2,1-2H3,(H2,33,34)(H,35,39)/b7-5+ | PDB
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202738
(CHEMBL232127 | trans-N-(4-(4-amino-7-(3-aminoprop-...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN)cnc(N)c12 Show InChI InChI=1S/C27H25N5O2S/c1-32-21-8-4-3-6-17(21)12-22(32)27(33)31-20-10-9-16(13-23(20)34-2)19-15-35-25-18(7-5-11-28)14-30-26(29)24(19)25/h3-10,12-15H,11,28H2,1-2H3,(H2,29,30)(H,31,33)/b7-5+ | PDB
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202745
(4-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carbo...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C31H32N6O3S/c1-36-24-8-4-3-7-20(24)15-25(36)31(39)35-23-10-9-19(16-26(23)40-2)22-18-41-28-21(17-34-29(32)27(22)28)30(38)33-11-14-37-12-5-6-13-37/h3-4,7-10,15-18H,5-6,11-14H2,1-2H3,(H2,32,34)(H,33,38)(H,35,39) | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287686
(CHEMBL4161286)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC2(CCC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C34H46ClN5O9S/c1-32(2,3)26(37-31(44)49-33(4,5)6)29(42)40-18-20(48-28-23-15-19(35)9-12-22(23)25(47-7)17-36-28)16-24(40)27(41)38-34(13-8-14-34)30(43)39-50(45,46)21-10-11-21/h9,12,15,17,20-21,24,26H,8,10-11,13-14,16,18H2,1-7H3,(H,37,44)(H,38,41)(H,39,43)/t20-,24+,26-/m1/s1 | PDB
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| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202754
(CHEMBL395662 | N-(4-(4-amino-7-(3-(4-methylpiperaz...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCN(C)CC3)cnc(N)c12 Show InChI InChI=1S/C32H34N6O2S/c1-36-13-15-38(16-14-36)12-6-8-23-19-34-31(33)29-24(20-41-30(23)29)21-10-11-25(28(18-21)40-3)35-32(39)27-17-22-7-4-5-9-26(22)37(27)2/h4-11,17-20H,12-16H2,1-3H3,(H2,33,34)(H,35,39)/b8-6+ | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202734
(CHEMBL232542 | N-(4-(4-amino-7-(3-(diethylamino)pr...)Show SMILES CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1 Show InChI InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-9-11-22-18-33-30(32)28-23(19-39-29(22)28)20-13-14-24(27(17-20)38-4)34-31(37)26-16-21-10-7-8-12-25(21)35(26)3/h7-14,16-19H,5-6,15H2,1-4H3,(H2,32,33)(H,34,37)/b11-9+ | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202744
(4-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carbo...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(N)=O Show InChI InChI=1S/C25H21N5O3S/c1-30-18-6-4-3-5-14(18)9-19(30)25(32)29-17-8-7-13(10-20(17)33-2)16-12-34-22-15(24(27)31)11-28-23(26)21(16)22/h3-12H,1-2H3,(H2,26,28)(H2,27,31)(H,29,32) | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202735
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)| Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+ | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202736
(CHEMBL231930 | trans-N-(4-(4-amino-7-(3-amino-3-ox...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\C(N)=O)cnc(N)c12 Show InChI InChI=1S/C27H23N5O3S/c1-32-20-6-4-3-5-16(20)11-21(32)27(34)31-19-9-7-15(12-22(19)35-2)18-14-36-25-17(8-10-23(28)33)13-30-26(29)24(18)25/h3-14H,1-2H3,(H2,28,33)(H2,29,30)(H,31,34)/b10-8+ | PDB
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| n/a | n/a | 541 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50202735
(CHEMBL395666 | N-(4-(4-amino-7-(3-((1s,4s)-4-amino...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)| Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24+ | PDB
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| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202753
(CHEMBL232927 | N-(4-(7-(3-acetamidoprop-1-enyl)-4-...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC(C)=O)cnc(N)c12 Show InChI InChI=1S/C29H27N5O3S/c1-17(35)31-12-6-8-20-15-32-28(30)26-21(16-38-27(20)26)18-10-11-22(25(14-18)37-3)33-29(36)24-13-19-7-4-5-9-23(19)34(24)2/h4-11,13-16H,12H2,1-3H3,(H2,30,32)(H,31,35)(H,33,36)/b8-6+ | PDB
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PubMed
| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202740
(CHEMBL232126 | trans-N-(4-(4-amino-7-(3-hydroxypro...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CO)cnc(N)c12 Show InChI InChI=1S/C27H24N4O3S/c1-31-21-8-4-3-6-17(21)12-22(31)27(33)30-20-10-9-16(13-23(20)34-2)19-15-35-25-18(7-5-11-32)14-29-26(28)24(19)25/h3-10,12-15,32H,11H2,1-2H3,(H2,28,29)(H,30,33)/b7-5+ | PDB
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| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287593
(CHEMBL4160158)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C33H44ClF2N5O9S/c1-32(2,3)26(39-31(45)50-33(4,5)6)30(44)41-16-18(49-29-21-12-17(34)8-11-20(21)24(48-7)15-37-29)13-23(41)28(43)38-22(14-25(35)36)27(42)40-51(46,47)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,38,43)(H,39,45)(H,40,42)/t18-,22+,23+,26-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
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| PC cid
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| n/a | n/a | 976 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287592
(CHEMBL4169219)Show SMILES COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(F)F)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1)-c1ccccc1 |r| Show InChI InChI=1S/C39H49F2N5O9S/c1-38(2,3)33(44-37(50)55-39(4,5)6)36(49)46-21-24(18-30(46)35(48)43-29(20-32(40)41)34(47)45-56(51,52)25-14-15-25)54-31-19-27(22-11-9-8-10-12-22)42-28-17-23(53-7)13-16-26(28)31/h8-13,16-17,19,24-25,29-30,32-33H,14-15,18,20-21H2,1-7H3,(H,43,48)(H,44,50)(H,45,47)/t24-,29?,30+,33-/m1/s1 | PDB
UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
Similars
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50202734
(CHEMBL232542 | N-(4-(4-amino-7-(3-(diethylamino)pr...)Show SMILES CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1 Show InChI InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-9-11-22-18-33-30(32)28-23(19-39-29(22)28)20-13-14-24(27(17-20)38-4)34-31(37)26-16-21-10-7-8-12-25(21)35(26)3/h7-14,16-19H,5-6,15H2,1-4H3,(H2,32,33)(H,34,37)/b11-9+ | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lyn |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202757
(CHEMBL396359 | N-(4-(4-amino-7-(3-oxo-3-(piperidin...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2C(CN=C(N)c12)C=CC(=O)NC1CCNCC1 |w:31.35,t:30| Show InChI InChI=1S/C32H34N6O3S/c1-38-25-6-4-3-5-20(25)15-26(38)32(40)37-24-9-7-19(16-27(24)41-2)23-18-42-30-21(17-35-31(33)29(23)30)8-10-28(39)36-22-11-13-34-14-12-22/h3-10,15-16,18,21-22,34H,11-14,17H2,1-2H3,(H2,33,35)(H,36,39)(H,37,40) | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202748
(CHEMBL232731 | N-(4-(4-amino-7-(3-(methylsulfonami...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNS(C)(=O)=O)cnc(N)c12 Show InChI InChI=1S/C28H27N5O4S2/c1-33-22-9-5-4-7-18(22)13-23(33)28(34)32-21-11-10-17(14-24(21)37-2)20-16-38-26-19(15-30-27(29)25(20)26)8-6-12-31-39(3,35)36/h4-11,13-16,31H,12H2,1-3H3,(H2,29,30)(H,32,34)/b8-6+ | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202744
(4-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carbo...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(N)=O Show InChI InChI=1S/C25H21N5O3S/c1-30-18-6-4-3-5-14(18)9-19(30)25(32)29-17-8-7-13(10-20(17)33-2)16-12-34-22-15(24(27)31)11-28-23(26)21(16)22/h3-12H,1-2H3,(H2,26,28)(H2,27,31)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202746
(CHEMBL395663 | N-(4-(4-amino-7-(3-(4-methyl-3-oxop...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(C=CCN3CCN(C)C(=O)C3)cnc(N)c12 |w:26.28| Show InChI InChI=1S/C32H32N6O3S/c1-36-13-14-38(18-28(36)39)12-6-8-22-17-34-31(33)29-23(19-42-30(22)29)20-10-11-24(27(16-20)41-3)35-32(40)26-15-21-7-4-5-9-25(21)37(26)2/h4-11,15-17,19H,12-14,18H2,1-3H3,(H2,33,34)(H,35,40) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50202737
(CHEMBL395665 | N-(4-(4-amino-7-(3-((1r,4r)-4-amino...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)| Show InChI InChI=1S/C33H36N6O2S/c1-39-27-8-4-3-6-21(27)16-28(39)33(40)38-26-14-9-20(17-29(26)41-2)25-19-42-31-22(18-37-32(35)30(25)31)7-5-15-36-24-12-10-23(34)11-13-24/h3-9,14,16-19,23-24,36H,10-13,15,34H2,1-2H3,(H2,35,37)(H,38,40)/b7-5+/t23-,24- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202733
(4-amino-N-(2-(dimethylamino)ethyl)-3-(3-methoxy-4-...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN(C)C Show InChI InChI=1S/C29H30N6O3S/c1-34(2)12-11-31-28(36)19-15-32-27(30)25-20(16-39-26(19)25)17-9-10-21(24(14-17)38-4)33-29(37)23-13-18-7-5-6-8-22(18)35(23)3/h5-10,13-16H,11-12H2,1-4H3,(H2,30,32)(H,31,36)(H,33,37) | PDB
MMDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287651
(CHEMBL4170379)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(C)(C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C33H46ClN5O9S/c1-31(2,3)25(36-30(43)48-32(4,5)6)28(41)39-17-19(47-27-22-14-18(34)10-13-21(22)24(46-9)16-35-27)15-23(39)26(40)37-33(7,8)29(42)38-49(44,45)20-11-12-20/h10,13-14,16,19-20,23,25H,11-12,15,17H2,1-9H3,(H,36,43)(H,37,40)(H,38,42)/t19-,23+,25-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202736
(CHEMBL231930 | trans-N-(4-(4-amino-7-(3-amino-3-ox...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\C(N)=O)cnc(N)c12 Show InChI InChI=1S/C27H23N5O3S/c1-32-20-6-4-3-5-16(20)11-21(32)27(34)31-19-9-7-15(12-22(19)35-2)18-14-36-25-17(8-10-23(28)33)13-30-26(29)24(18)25/h3-14H,1-2H3,(H2,28,33)(H2,29,30)(H,31,34)/b10-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202740
(CHEMBL232126 | trans-N-(4-(4-amino-7-(3-hydroxypro...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CO)cnc(N)c12 Show InChI InChI=1S/C27H24N4O3S/c1-31-21-8-4-3-6-17(21)12-22(31)27(33)30-20-10-9-16(13-23(20)34-2)19-15-35-25-18(7-5-11-32)14-29-26(28)24(19)25/h3-10,12-15,32H,11H2,1-2H3,(H2,28,29)(H,30,33)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202753
(CHEMBL232927 | N-(4-(7-(3-acetamidoprop-1-enyl)-4-...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC(C)=O)cnc(N)c12 Show InChI InChI=1S/C29H27N5O3S/c1-17(35)31-12-6-8-20-15-32-28(30)26-21(16-38-27(20)26)18-10-11-22(25(14-18)37-3)33-29(36)24-13-19-7-4-5-9-23(19)34(24)2/h4-11,13-16H,12H2,1-3H3,(H2,30,32)(H,31,35)(H,33,36)/b8-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287641
(CHEMBL4168077)Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r| Show InChI InChI=1S/C33H44ClF2N5O9S/c1-32(2,3)26(39-31(45)50-33(4,5)6)30(44)41-16-18(49-29-21-12-17(34)8-11-20(21)24(48-7)15-37-29)13-23(41)28(43)38-22(14-25(35)36)27(42)40-51(46,47)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,38,43)(H,39,45)(H,40,42)/t18-,22-,23+,26-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202745
(4-amino-3-(3-methoxy-4-(1-methyl-1H-indole-2-carbo...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(cnc(N)c12)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C31H32N6O3S/c1-36-24-8-4-3-7-20(24)15-25(36)31(39)35-23-10-9-19(16-26(23)40-2)22-18-41-28-21(17-34-29(32)27(22)28)30(38)33-11-14-37-12-5-6-13-37/h3-4,7-10,15-18H,5-6,11-14H2,1-2H3,(H2,32,34)(H,33,38)(H,35,39) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202756
(CHEMBL233540 | N-(4-(4-amino-7-(3-(4-phenylpiperaz...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCN(CC3)c3ccccc3)cnc(N)c12 Show InChI InChI=1S/C37H36N6O2S/c1-41-31-13-7-6-9-26(31)21-32(41)37(44)40-30-15-14-25(22-33(30)45-2)29-24-46-35-27(23-39-36(38)34(29)35)10-8-16-42-17-19-43(20-18-42)28-11-4-3-5-12-28/h3-15,21-24H,16-20H2,1-2H3,(H2,38,39)(H,40,44)/b10-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Genome polyprotein/Non-structural protein 4A
(Hepatitis C virus) | BDBM50287638
(CHEMBL4172603)Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc1ncc(OC)c2ccc(Cl)cc12)C(=O)NS(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C33H46ClN5O9S/c1-9-23(27(40)38-49(44,45)20-11-12-20)36-28(41)24-15-19(47-29-22-14-18(34)10-13-21(22)25(46-8)16-35-29)17-39(24)30(42)26(32(2,3)4)37-31(43)48-33(5,6)7/h10,13-14,16,19-20,23-24,26H,9,11-12,15,17H2,1-8H3,(H,36,41)(H,37,43)(H,38,40)/t19-,23+,24+,26-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R... |
ACS Med Chem Lett 9: 143-148 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7 |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50202739
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12 Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Tie2 |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50202739
(CHEMBL395664 | N-(4-(4-amino-7-(3-(piperidin-4-yla...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12 Show InChI InChI=1S/C32H34N6O2S/c1-38-26-8-4-3-6-21(26)16-27(38)32(39)37-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-36-31(33)29(24)30)7-5-13-35-23-11-14-34-15-12-23/h3-10,16-19,23,34-35H,11-15H2,1-2H3,(H2,33,36)(H,37,39)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lyn |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50202748
(CHEMBL232731 | N-(4-(4-amino-7-(3-(methylsulfonami...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNS(C)(=O)=O)cnc(N)c12 Show InChI InChI=1S/C28H27N5O4S2/c1-33-22-9-5-4-7-18(22)13-23(33)28(34)32-21-11-10-17(14-24(21)37-2)20-16-38-26-19(15-30-27(29)25(20)26)8-6-12-31-39(3,35)36/h4-11,13-16,31H,12H2,1-3H3,(H2,29,30)(H,32,34)/b8-6+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Hck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202750
(CHEMBL391247 | cis-N-(4-(4-amino-7-(3-(diethylamin...)Show SMILES CCN(CC)C\C=C/c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1 Show InChI InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-9-11-22-18-33-30(32)28-23(19-39-29(22)28)20-13-14-24(27(17-20)38-4)34-31(37)26-16-21-10-7-8-12-25(21)35(26)3/h7-14,16-19H,5-6,15H2,1-4H3,(H2,32,33)(H,34,37)/b11-9- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202755
(CHEMBL391044 | N-(4-(4-amino-7-(3-hydroxypropyl)th...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(CCCO)cnc(N)c12 Show InChI InChI=1S/C27H26N4O3S/c1-31-21-8-4-3-6-17(21)12-22(31)27(33)30-20-10-9-16(13-23(20)34-2)19-15-35-25-18(7-5-11-32)14-29-26(28)24(19)25/h3-4,6,8-10,12-15,32H,5,7,11H2,1-2H3,(H2,28,29)(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50202758
(CHEMBL391475 | N-(4-(4-aminothieno[3,2-c]pyridin-3...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2ccnc(N)c12 Show InChI InChI=1S/C24H20N4O2S/c1-28-18-6-4-3-5-15(18)11-19(28)24(29)27-17-8-7-14(12-20(17)30-2)16-13-31-21-9-10-26-23(25)22(16)21/h3-13H,1-2H3,(H2,25,26)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lck |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lyn
(Homo sapiens (Human)) | BDBM50202741
(CHEMBL233958 | N-(4-(4-amino-7-(3-(4-hydroxypiperi...)Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12 Show InChI InChI=1S/C32H33N5O3S/c1-36-26-8-4-3-6-21(26)16-27(36)32(39)35-25-10-9-20(17-28(25)40-2)24-19-41-30-22(18-34-31(33)29(24)30)7-5-13-37-14-11-23(38)12-15-37/h3-10,16-19,23,38H,11-15H2,1-2H3,(H2,33,34)(H,35,39)/b7-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center
Curated by ChEMBL
| Assay Description
Inhibition of Lyn |
Bioorg Med Chem Lett 17: 1167-71 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.035
BindingDB Entry DOI: 10.7270/Q24Q7TN6 |
More data for this
Ligand-Target Pair | |
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