Found 308 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 5' 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 |
|---|
MAP kinase-activated protein kinase 5
(Homo sapiens (Human)) | BDBM50341519
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals (Europe) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PRAK |
J Med Chem 54: 2341-50 (2011)
Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5
(Homo sapiens (Human)) | BDBM50224883
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3 Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PRAK |
Bioorg Med Chem Lett 17: 6593-601 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5
(Homo sapiens (Human)) | BDBM50463484
(CHEMBL4248525)Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1 Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of PRAK (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5
(Homo sapiens (Human)) | BDBM50463479
(CHEMBL4249925)Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1 Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description
Inhibition of PRAK (unknown origin) |
Bioorg Med Chem Lett 28: 2622-2626 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605909
(US11680056, Example 53A | US11680056, Example 53B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(.62,-29.88,;1.96,-30.65,;3.29,-29.88,;4.62,-30.65,;4.62,-32.19,;3.29,-32.96,;3.29,-34.5,;1.96,-32.19,;.62,-32.96,;.62,-34.5,;1.96,-35.27,;-.71,-35.27,;-2.04,-34.5,;-3.38,-35.27,;-4.71,-34.5,;-6.05,-35.27,;-7.38,-34.5,;-8.71,-35.27,;-8.71,-36.81,;-10.05,-37.58,;-7.38,-37.58,;-6.05,-36.81,;-4.71,-37.58,;-2.04,-32.96,;-3.38,-32.19,;-.71,-32.19,;-.71,-30.65,;5.96,-32.96,;5.96,-34.5,;7.29,-35.27,;8.62,-34.5,;8.62,-32.96,;7.29,-32.19,;9.96,-32.19,;9.96,-30.65,;11.29,-32.96,;11.29,-31.42,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605939
(US11680056, Example 68B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.73,15.37,;-1.4,14.6,;-.07,15.37,;1.27,14.6,;1.27,13.06,;-.07,12.29,;-.07,10.75,;-1.4,13.06,;-2.73,12.29,;-2.73,10.75,;-1.4,9.98,;-4.07,9.98,;-5.4,10.75,;-6.73,9.98,;-8.07,10.75,;-9.4,9.98,;-10.73,10.75,;-12.07,9.98,;-12.07,8.44,;-13.4,7.67,;-10.73,7.67,;-9.4,8.44,;-8.07,7.67,;-5.4,12.29,;-6.73,13.06,;-4.07,13.06,;-4.07,14.6,;2.6,12.29,;3.93,13.06,;2.6,10.75,;2.6,13.83,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605929
(US11680056, Example 63B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.79,25.44,;-1.45,24.67,;-.12,25.44,;1.22,24.67,;1.22,23.13,;-.12,22.36,;-.12,20.82,;-1.45,23.13,;-2.79,22.36,;-2.79,20.82,;-1.45,20.06,;-4.12,20.06,;-5.45,20.82,;-6.79,20.06,;-8.12,20.82,;-9.45,20.06,;-10.79,20.82,;-12.12,20.06,;-12.12,18.52,;-13.45,17.74,;-10.79,17.74,;-9.45,18.52,;-8.12,17.74,;-5.45,22.36,;-6.79,23.13,;-4.12,23.13,;-4.12,24.67,;2.55,22.36,;3.88,23.13,;2.55,20.82,;2.55,23.9,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605911
(US11680056, Example 54A | US11680056, Example 54B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1ccc(c1)C(C)(C)O |(-2.03,11.76,;-.7,10.99,;.64,11.76,;1.97,10.99,;1.97,9.45,;.64,8.68,;.64,7.14,;-.7,9.45,;-2.03,8.68,;-2.03,7.14,;-.7,6.37,;-3.37,6.37,;-4.7,7.14,;-6.03,6.37,;-7.37,7.14,;-8.7,6.37,;-10.03,7.14,;-11.37,6.37,;-11.37,4.83,;-12.7,4.06,;-10.03,4.06,;-8.7,4.83,;-7.37,4.06,;-4.7,8.68,;-6.03,9.45,;-3.37,9.45,;-3.37,10.99,;3.3,8.68,;3.46,7.15,;4.97,6.83,;5.74,8.16,;4.71,9.31,;7.27,8.32,;8.18,7.08,;7.9,9.73,;8.8,8.48,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605920
(US11680056, Example 59A | US11680056, Example 59B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)CO |(1.24,-19.19,;2.57,-19.96,;3.9,-19.19,;5.24,-19.96,;5.24,-21.5,;3.9,-22.27,;3.9,-23.81,;2.57,-21.5,;1.24,-22.27,;1.24,-23.81,;2.57,-24.58,;-.1,-24.58,;-1.43,-23.81,;-2.76,-24.58,;-4.1,-23.81,;-5.43,-24.58,;-6.77,-23.81,;-8.1,-24.58,;-8.1,-26.12,;-9.43,-26.89,;-6.77,-26.89,;-5.43,-26.12,;-4.1,-26.89,;-1.43,-22.27,;-2.76,-21.5,;-.1,-21.5,;-.1,-19.96,;6.57,-22.27,;6.57,-23.81,;7.9,-24.58,;9.24,-23.81,;9.24,-22.27,;7.9,-21.5,;10.57,-21.5,;9.8,-20.16,;11.34,-20.16,;11.91,-22.27,;13.24,-21.5,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605918
(US11680056, Example 58A)Show SMILES COC(=O)c1ccn(n1)-c1ncc(C)c(c1F)-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |(.31,-26.05,;-1.22,-26.21,;-2.13,-24.97,;-1.5,-23.56,;-3.66,-25.13,;-4.43,-26.46,;-5.93,-26.14,;-6.1,-24.61,;-4.69,-23.98,;-7.43,-23.84,;-7.43,-22.3,;-8.76,-21.53,;-10.1,-22.3,;-11.43,-21.53,;-10.1,-23.84,;-8.76,-24.61,;-8.76,-26.15,;-11.43,-24.61,;-11.43,-26.15,;-10.1,-26.92,;-12.76,-26.92,;-14.1,-26.15,;-15.43,-26.92,;-16.77,-26.15,;-18.1,-26.92,;-19.43,-26.15,;-20.77,-26.92,;-20.77,-28.46,;-22.1,-29.23,;-19.43,-29.23,;-18.1,-28.46,;-16.77,-29.23,;-14.1,-24.61,;-15.43,-23.84,;-12.76,-23.84,;-12.76,-22.3,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605916
(US11680056, Example 57A | US11680056, Example 57B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-1.92,12.66,;-.59,11.89,;.75,12.66,;2.08,11.89,;2.08,10.35,;.75,9.58,;.75,8.04,;-.59,10.35,;-1.92,9.58,;-1.92,8.04,;-.59,7.27,;-3.25,7.27,;-4.59,8.04,;-5.92,7.27,;-7.25,8.04,;-8.59,7.27,;-9.92,8.04,;-11.26,7.27,;-11.26,5.73,;-12.59,4.96,;-9.92,4.96,;-8.59,5.73,;-7.25,4.96,;-4.59,9.58,;-5.92,10.35,;-3.25,10.35,;-3.25,11.89,;3.41,9.58,;3.41,8.04,;4.75,7.27,;6.08,8.04,;6.08,9.58,;4.75,10.35,;7.42,10.35,;8.75,9.58,;7.42,11.89,;8.75,11.12,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605936
(US11680056, Example 67A)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.77,15.13,;-1.44,14.36,;-.11,15.13,;1.23,14.36,;1.23,12.82,;-.11,12.05,;-.11,10.51,;-1.44,12.82,;-2.77,12.05,;-2.51,10.51,;-1.17,9.74,;-4.11,9.74,;-5.44,10.51,;-6.77,9.74,;-8.11,10.51,;-9.44,9.74,;-10.78,10.51,;-12.11,9.74,;-12.11,8.2,;-13.44,7.43,;-10.78,7.43,;-9.44,8.2,;-8.11,7.43,;-5.44,12.05,;-6.77,12.82,;-4.11,12.82,;-4.11,14.36,;2.56,12.05,;3.89,12.82,;2.56,10.51,;2.56,13.59,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605738
(US11680056, Example 4 | US11680056, Example 4A | U...)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)CO |(6.14,-26.65,;4.81,-27.42,;4.81,-28.96,;3.48,-29.73,;2.14,-28.96,;2.14,-27.42,;3.48,-26.65,;3.48,-25.11,;4.81,-24.34,;6.14,-25.11,;4.81,-22.8,;3.48,-22.03,;3.48,-20.49,;4.81,-19.72,;6.14,-20.49,;6.14,-22.03,;7.48,-22.8,;8.81,-22.03,;10.14,-22.8,;8.81,-20.49,;7.48,-19.72,;7.48,-18.18,;2.14,-22.8,;.81,-22.03,;2.14,-24.34,;.81,-25.11,;.81,-29.73,;.81,-31.27,;-.53,-32.04,;-1.86,-31.27,;-1.86,-29.73,;-.53,-28.96,;-3.19,-28.96,;-3.19,-27.42,;-4.53,-28.19,;-3.96,-30.29,;-5.5,-30.29,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605926
(US11680056, Example 62A)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(6.37,27.25,;7.7,26.48,;9.03,27.25,;10.37,26.48,;10.37,24.94,;9.03,24.17,;9.03,22.63,;7.7,24.94,;6.37,24.17,;6.37,22.63,;7.7,21.86,;5.03,21.86,;3.7,22.63,;2.37,21.86,;1.03,22.63,;-.3,21.86,;-1.64,22.63,;-2.97,21.86,;-2.97,20.32,;-4.3,19.55,;-1.64,19.55,;-.3,20.32,;1.03,19.55,;3.7,24.17,;2.37,24.94,;5.03,24.94,;5.03,26.48,;11.7,24.17,;13.03,24.94,;11.7,22.63,;11.7,25.71,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605844
(US11680056, Example 24A | US11680056, Example 24B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccc(F)c(n1)C(C)(C)O |(.13,-26.18,;1.46,-26.95,;2.8,-26.18,;4.13,-26.95,;4.13,-28.49,;2.8,-29.26,;1.46,-28.49,;.13,-29.26,;.13,-30.8,;1.46,-31.57,;-1.2,-31.57,;-2.54,-30.8,;-3.87,-31.57,;-5.2,-30.8,;-6.54,-31.57,;-7.87,-30.8,;-9.21,-31.57,;-9.21,-33.11,;-10.54,-33.88,;-7.87,-33.88,;-6.54,-33.11,;-5.2,-33.88,;-2.54,-29.26,;-3.87,-28.49,;-1.2,-28.49,;-1.2,-26.95,;5.46,-29.26,;5.46,-30.8,;6.8,-31.57,;8.13,-30.8,;9.47,-31.57,;8.13,-29.26,;6.8,-28.49,;9.47,-28.49,;9.47,-26.95,;10.8,-29.26,;10.8,-27.72,)| | MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605914
(US11680056, Example 56A | US11680056, Example 56B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(c1F)C(C)(C)O |(11.9,-18.12,;13.23,-18.89,;14.57,-18.12,;15.9,-18.89,;15.9,-20.43,;14.57,-21.2,;13.23,-20.43,;11.9,-21.2,;11.9,-22.74,;13.23,-23.51,;10.57,-23.51,;9.23,-22.74,;7.9,-23.51,;6.57,-22.74,;5.23,-23.51,;3.9,-22.74,;2.56,-23.51,;2.56,-25.05,;1.23,-25.82,;3.9,-25.82,;5.23,-25.05,;6.57,-25.82,;9.23,-21.2,;7.9,-20.43,;10.57,-20.43,;10.57,-18.89,;17.24,-21.2,;17.24,-22.74,;18.57,-23.51,;19.9,-22.74,;19.9,-21.2,;18.57,-20.43,;18.57,-18.89,;21.24,-20.43,;21.24,-18.89,;22.57,-21.2,;22.57,-19.66,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605930
(US11680056, Example 64A | US11680056, Example 64B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(c1F)C(C)(C)O |(-1.68,2.62,;-.35,1.85,;.99,2.62,;2.32,1.85,;2.32,.31,;.99,-.46,;-.35,.31,;-1.68,-.46,;-1.68,-2,;-.35,-2.77,;-3.02,-2.77,;-4.35,-2,;-5.68,-2.77,;-7.02,-2,;-8.35,-2.77,;-9.68,-2,;-11.02,-2.77,;-11.02,-4.31,;-12.35,-5.08,;-9.68,-5.08,;-8.35,-4.31,;-7.02,-5.08,;-4.35,-.46,;-5.68,.31,;-3.02,.31,;-3.02,1.85,;3.65,-.46,;3.65,-2,;4.99,-2.77,;6.32,-2,;6.32,-.46,;4.99,.31,;4.99,1.85,;7.65,.31,;7.65,1.85,;8.99,-.46,;8.99,1.08,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605897
(US11680056, Example 47A | US11680056, Example 47B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2Cl)c(Cl)c1=O)-n1ccc(n1)C(C)(C)O |(.63,-2.85,;1.97,-3.62,;3.3,-2.85,;4.63,-3.62,;4.63,-5.16,;3.3,-5.93,;1.97,-5.16,;.63,-5.93,;.63,-7.47,;1.97,-8.24,;-.7,-8.24,;-2.04,-7.47,;-3.37,-8.24,;-4.7,-7.47,;-6.04,-8.24,;-7.37,-7.47,;-8.7,-8.24,;-8.7,-9.78,;-10.04,-10.55,;-7.37,-10.55,;-6.04,-9.78,;-4.7,-10.55,;-2.04,-5.93,;-3.37,-5.16,;-.7,-5.16,;-.7,-3.62,;5.97,-5.93,;6.13,-7.46,;7.63,-7.78,;8.4,-6.45,;7.37,-5.3,;9.94,-6.29,;10.56,-4.88,;10.84,-7.53,;11.47,-6.13,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605842
(US11680056, Example 23A | US11680056, Example 23B)Show SMILES Cc1cnc(COc2cc(C)n(-c3cc(ncc3C)-c3ccnc(n3)C(C)(C)O)c(=O)c2Cl)c(F)c1 |(-10.6,-32.83,;-9.27,-32.06,;-9.27,-30.52,;-7.94,-29.75,;-6.6,-30.52,;-5.27,-29.75,;-3.94,-30.52,;-2.6,-29.75,;-1.27,-30.52,;.07,-29.75,;1.4,-30.52,;.07,-28.21,;1.4,-27.44,;2.73,-28.21,;4.07,-27.44,;4.07,-25.9,;2.73,-25.13,;1.4,-25.9,;.07,-25.13,;5.4,-28.21,;5.4,-29.75,;6.73,-30.52,;8.07,-29.75,;8.07,-28.21,;6.73,-27.44,;9.4,-27.44,;9.4,-25.9,;10.73,-28.21,;10.73,-26.67,;-1.27,-27.44,;-1.27,-25.9,;-2.6,-28.21,;-3.94,-27.44,;-6.6,-32.06,;-5.27,-32.83,;-7.94,-32.83,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605838
(US11680056, Example 21A | US11680056, Example 21B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C1(CO)CC1 |(.22,-19.66,;1.55,-20.43,;2.89,-19.66,;4.22,-20.43,;4.22,-21.97,;2.89,-22.74,;1.55,-21.97,;.22,-22.74,;.22,-24.28,;1.55,-25.05,;-1.12,-25.05,;-2.45,-24.28,;-3.78,-25.05,;-5.12,-24.28,;-6.45,-25.05,;-7.78,-24.28,;-9.12,-25.05,;-9.12,-26.59,;-10.45,-27.36,;-7.78,-27.36,;-6.45,-26.59,;-5.12,-27.36,;-2.45,-22.74,;-3.78,-21.97,;-1.12,-21.97,;-1.12,-20.43,;5.55,-22.74,;5.55,-24.28,;6.89,-25.05,;8.22,-24.28,;8.22,-22.74,;6.89,-21.97,;9.55,-21.97,;8.22,-21.2,;8.22,-19.66,;10.89,-22.74,;10.89,-21.2,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605924
(US11680056, Example 61A | US11680056, Example 61B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(CC2(O)CC2)n1 |(-1.68,-27.93,;-.34,-28.7,;.99,-27.93,;2.32,-28.7,;2.32,-30.24,;.99,-31.01,;.99,-32.55,;-.34,-30.24,;-1.68,-31.01,;-1.68,-32.55,;-.34,-33.32,;-3.01,-33.32,;-4.34,-32.55,;-5.68,-33.32,;-7.01,-32.55,;-8.35,-33.32,;-9.68,-32.55,;-11.01,-33.32,;-11.01,-34.86,;-12.35,-35.63,;-9.68,-35.63,;-8.35,-34.86,;-7.01,-35.63,;-4.34,-31.01,;-5.68,-30.24,;-3.01,-30.24,;-3.01,-28.7,;3.66,-31.01,;3.66,-32.55,;4.99,-33.32,;6.32,-32.55,;6.32,-31.01,;7.66,-30.24,;8.99,-31.01,;7.66,-31.78,;10.33,-31.78,;10.33,-30.24,;4.99,-30.24,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605824
(US11680056, Example 9A)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1ccc(n1)C(C)(C)O |(4.29,-24.94,;2.95,-25.71,;2.95,-27.25,;1.62,-28.02,;.29,-27.25,;.29,-25.71,;1.62,-24.94,;1.62,-23.4,;2.95,-22.63,;4.29,-23.4,;2.95,-21.09,;1.62,-20.32,;1.62,-18.78,;2.95,-18.01,;4.29,-18.78,;4.29,-20.32,;5.62,-21.09,;6.96,-20.32,;8.29,-21.09,;6.96,-18.78,;5.62,-18.01,;5.62,-16.47,;.29,-21.09,;-1.05,-20.32,;.29,-22.63,;-1.05,-23.4,;-1.05,-28.02,;-1.21,-29.55,;-2.71,-29.87,;-3.48,-28.53,;-2.45,-27.39,;-5.02,-28.37,;-5.64,-26.97,;-6.55,-28.21,;-5.92,-29.62,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605932
(US11680056, Example 65A | US11680056, Example 65B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(c1F)C(C)(C)O |(-1.41,2.64,;-.07,1.87,;1.26,2.64,;2.59,1.87,;2.59,.33,;1.26,-.44,;1.26,-1.98,;-.07,.33,;-1.41,-.44,;-1.41,-1.98,;-.07,-2.75,;-2.74,-2.75,;-4.08,-1.98,;-5.41,-2.75,;-6.74,-1.98,;-8.08,-2.75,;-9.41,-1.98,;-10.74,-2.75,;-10.74,-4.29,;-12.08,-5.06,;-9.41,-5.06,;-8.08,-4.29,;-6.74,-5.06,;-4.08,-.44,;-5.41,.33,;-2.74,.33,;-2.74,1.87,;3.93,-.44,;3.93,-1.98,;5.26,-2.75,;6.59,-1.98,;6.59,-.44,;5.26,.33,;5.26,1.87,;7.93,.33,;7.93,1.87,;9.26,-.44,;9.26,1.1,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605877
(US11680056, Example 37A | US11680056, Example 37B)Show SMILES COC(=O)C(C)(C)c1ccn(n1)-c1cc(c(C)cn1)-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |(8.78,6.01,;8.17,4.6,;6.64,4.44,;6.01,3.03,;5.74,5.68,;5.57,7.21,;6.98,6.59,;4.2,5.52,;3.43,4.19,;1.93,4.51,;1.77,6.04,;3.17,6.67,;.43,6.81,;-.9,6.04,;-2.23,6.81,;-2.23,8.35,;-3.57,9.12,;-.9,9.12,;.43,8.35,;-3.57,6.04,;-3.57,4.5,;-2.23,3.73,;-4.9,3.73,;-6.24,4.5,;-7.57,3.73,;-8.9,4.5,;-10.24,3.73,;-11.57,4.5,;-12.9,3.73,;-12.9,2.19,;-14.24,1.42,;-11.57,1.42,;-10.24,2.19,;-8.9,1.42,;-6.24,6.04,;-7.57,6.81,;-4.9,6.81,;-4.9,8.35,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605885
(US11680056, Example 41A)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-5.63,35.36,;-6.97,34.59,;-6.97,33.05,;-8.3,32.28,;-9.64,33.05,;-9.64,34.59,;-8.3,35.36,;-8.3,36.9,;-6.97,37.67,;-5.63,36.9,;-6.97,39.21,;-8.3,39.98,;-8.3,41.52,;-6.97,42.29,;-5.63,41.52,;-5.63,39.98,;-4.3,39.21,;-2.97,39.98,;-1.63,39.21,;-2.97,41.52,;-4.3,42.29,;-4.3,43.83,;-9.64,39.21,;-10.97,39.98,;-9.64,37.67,;-10.97,36.9,;-10.97,32.28,;-12.3,33.05,;-10.97,30.74,;-10.97,33.82,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605817
(US11680056, Example 6 | US11680056, Example 6A | U...)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)[C@@](C)(O)C1CC1 |r,wU:32.35,wD:32.37,(-15.02,-35.77,;-16.35,-36.54,;-16.35,-38.08,;-17.69,-38.85,;-19.02,-38.08,;-19.02,-36.54,;-17.69,-35.77,;-17.69,-34.23,;-16.35,-33.46,;-15.02,-34.23,;-16.35,-31.92,;-17.69,-31.15,;-17.69,-29.61,;-16.35,-28.84,;-15.02,-29.61,;-15.02,-31.15,;-13.68,-31.92,;-12.35,-31.15,;-11.02,-31.92,;-12.35,-29.61,;-13.68,-28.84,;-13.68,-27.3,;-19.02,-31.92,;-20.35,-31.15,;-19.02,-33.46,;-20.35,-34.23,;-20.35,-38.85,;-20.35,-40.39,;-21.69,-41.16,;-23.02,-40.39,;-23.02,-38.85,;-21.69,-38.08,;-24.35,-38.08,;-23.26,-36.99,;-25.69,-38.85,;-25.44,-36.99,;-25.84,-35.5,;-26.93,-36.59,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605873
(US11680056, Example 36A)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1cccc(Br)n1 |(.16,14.93,;-1.17,14.16,;-1.17,12.62,;-2.51,11.85,;-3.84,12.62,;-3.84,14.16,;-2.51,14.93,;-2.51,16.47,;-1.17,17.24,;.16,16.47,;-1.17,18.78,;-2.51,19.55,;-2.51,21.09,;-1.17,21.86,;.16,21.09,;.16,19.55,;1.5,18.78,;2.83,19.55,;4.16,18.78,;2.83,21.09,;1.5,21.86,;1.5,23.4,;-3.84,18.78,;-5.17,19.55,;-3.84,17.24,;-5.17,16.47,;-5.17,11.85,;-5.17,10.31,;-6.51,9.54,;-7.84,10.31,;-7.84,11.85,;-9.17,12.62,;-6.51,12.62,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605899
(US11680056, Example 48A | US11680056, Example 48B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(CC2(O)CC2)n1 |(2.16,-23.88,;3.5,-24.65,;4.83,-23.88,;6.16,-24.65,;6.16,-26.19,;4.83,-26.96,;3.5,-26.19,;2.16,-26.96,;2.16,-28.5,;3.5,-29.27,;.83,-29.27,;-.5,-28.5,;-1.84,-29.27,;-3.17,-28.5,;-4.51,-29.27,;-5.84,-28.5,;-7.17,-29.27,;-7.17,-30.81,;-8.51,-31.58,;-5.84,-31.58,;-4.51,-30.81,;-3.17,-31.58,;-.5,-26.96,;-1.84,-26.19,;.83,-26.19,;.83,-24.65,;7.5,-26.96,;7.5,-28.5,;8.83,-29.27,;10.17,-28.5,;10.17,-26.96,;11.5,-26.19,;12.83,-26.96,;12.06,-28.29,;14.17,-27.73,;14.17,-26.19,;8.83,-26.19,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605874
(US11680056, Example 36B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1cccc(Br)n1 |(.16,14.93,;-1.17,14.16,;-1.17,12.62,;-2.51,11.85,;-3.84,12.62,;-3.84,14.16,;-2.51,14.93,;-2.51,16.47,;-1.17,17.24,;.16,16.47,;-1.17,18.78,;-2.51,19.55,;-2.51,21.09,;-1.17,21.86,;.16,21.09,;.16,19.55,;1.5,18.78,;2.83,19.55,;4.16,18.78,;2.83,21.09,;1.5,21.86,;1.5,23.4,;-3.84,18.78,;-5.17,19.55,;-3.84,17.24,;-5.17,16.47,;-5.17,11.85,;-5.17,10.31,;-6.51,9.54,;-7.84,10.31,;-7.84,11.85,;-9.17,12.62,;-6.51,12.62,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605901
(US11680056, Example 49A | US11680056, Example 49B)Show SMILES Cc1cnc(c(C)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-1.05,-29.87,;.29,-30.64,;1.62,-29.87,;2.95,-30.64,;2.95,-32.18,;1.62,-32.95,;1.62,-34.49,;.29,-32.18,;-1.05,-32.95,;-1.05,-34.49,;.29,-35.26,;-2.38,-35.26,;-3.72,-34.49,;-5.05,-35.26,;-6.38,-34.49,;-7.72,-35.26,;-9.05,-34.49,;-10.38,-35.26,;-10.38,-36.8,;-11.72,-37.57,;-9.05,-37.57,;-7.72,-36.8,;-6.38,-37.57,;-3.72,-32.95,;-5.05,-32.18,;-2.38,-32.18,;-2.38,-30.64,;4.29,-32.95,;4.29,-34.49,;5.62,-35.26,;6.95,-34.49,;6.95,-32.95,;5.62,-32.18,;8.29,-32.18,;8.29,-30.64,;9.62,-32.95,;9.62,-31.41,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605935
(US11680056, Example 66B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-4.05,43.57,;-2.72,42.8,;-1.38,43.57,;-.05,42.8,;-.05,41.26,;-1.38,40.49,;-1.38,38.95,;-2.72,41.26,;-4.05,40.49,;-4.05,38.95,;-2.72,38.18,;-5.39,38.18,;-6.72,38.95,;-8.05,38.18,;-9.39,38.95,;-10.72,38.18,;-12.05,38.95,;-13.39,38.18,;-13.39,36.64,;-14.72,35.87,;-12.05,35.87,;-10.72,36.64,;-9.39,35.87,;-6.72,40.49,;-8.05,41.26,;-5.39,41.26,;-5.39,42.8,;1.28,40.49,;2.62,41.26,;1.28,38.95,;1.28,42.03,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
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Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605854
(US11680056, Example 29A | US11680056, Example 29B)Show SMILES CCc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(.05,-61.89,;.05,-63.43,;1.39,-64.2,;2.72,-63.43,;4.05,-64.2,;4.05,-65.74,;2.72,-66.51,;1.39,-65.74,;.05,-66.51,;.05,-68.05,;1.39,-68.82,;-1.28,-68.82,;-2.62,-68.05,;-3.95,-68.82,;-5.28,-68.05,;-6.62,-68.82,;-7.95,-68.05,;-9.28,-68.82,;-9.28,-70.36,;-10.62,-71.13,;-7.95,-71.13,;-6.62,-70.36,;-5.28,-71.13,;-2.62,-66.51,;-3.95,-65.74,;-1.28,-65.74,;-1.28,-64.2,;5.39,-66.51,;5.39,-68.05,;6.72,-68.82,;8.05,-68.05,;8.05,-66.51,;6.72,-65.74,;9.39,-65.74,;10.72,-66.51,;9.39,-64.2,;10.72,-64.97,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605916
(US11680056, Example 57A | US11680056, Example 57B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-1.92,12.66,;-.59,11.89,;.75,12.66,;2.08,11.89,;2.08,10.35,;.75,9.58,;.75,8.04,;-.59,10.35,;-1.92,9.58,;-1.92,8.04,;-.59,7.27,;-3.25,7.27,;-4.59,8.04,;-5.92,7.27,;-7.25,8.04,;-8.59,7.27,;-9.92,8.04,;-11.26,7.27,;-11.26,5.73,;-12.59,4.96,;-9.92,4.96,;-8.59,5.73,;-7.25,4.96,;-4.59,9.58,;-5.92,10.35,;-3.25,10.35,;-3.25,11.89,;3.41,9.58,;3.41,8.04,;4.75,7.27,;6.08,8.04,;6.08,9.58,;4.75,10.35,;7.42,10.35,;8.75,9.58,;7.42,11.89,;8.75,11.12,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605881
(US11680056, Example 39A | US11680056, Example 39B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C1(O)CCOCC1 |(-2.49,4.15,;-1.16,3.38,;.17,4.15,;1.51,3.38,;1.51,1.84,;.17,1.07,;-1.16,1.84,;-2.49,1.07,;-2.49,-.47,;-1.16,-1.24,;-3.83,-1.24,;-5.16,-.47,;-6.5,-1.24,;-7.83,-.47,;-9.16,-1.24,;-10.5,-.47,;-11.83,-1.24,;-11.83,-2.78,;-13.16,-3.55,;-10.5,-3.55,;-9.16,-2.78,;-7.83,-3.55,;-5.16,1.07,;-6.5,1.84,;-3.83,1.84,;-3.83,3.38,;2.84,1.07,;2.84,-.47,;4.17,-1.24,;5.51,-.47,;5.51,1.07,;4.17,1.84,;6.84,1.84,;6.84,.3,;6.84,3.38,;8.17,4.15,;9.51,3.38,;9.51,1.84,;8.17,1.07,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
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Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605732
(US11680056, Example 3 | US11680056, Example 3A | U...)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C1(CC1)OCc1ccccc1 |(-7.54,-.75,;-8.87,-1.52,;-8.87,-3.06,;-10.2,-3.83,;-11.54,-3.06,;-11.54,-1.52,;-10.2,-.75,;-10.2,.79,;-8.87,1.56,;-7.54,.79,;-8.87,3.1,;-10.2,3.87,;-10.2,5.41,;-8.87,6.18,;-7.54,5.41,;-7.54,3.87,;-6.2,3.1,;-4.87,3.87,;-3.54,3.1,;-4.87,5.41,;-6.2,6.18,;-6.2,7.72,;-11.54,3.1,;-12.87,3.87,;-11.54,1.56,;-12.87,.79,;-12.87,-3.83,;-12.87,-5.37,;-14.21,-6.14,;-15.54,-5.37,;-15.54,-3.83,;-14.21,-3.06,;-16.87,-3.06,;-16.87,-1.52,;-18.21,-2.29,;-15.36,-3.32,;-14.37,-2.14,;-14.89,-.7,;-16.41,-.43,;-16.94,1.02,;-15.95,2.2,;-14.43,1.93,;-13.9,.48,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605903
(US11680056, Example 50A | US11680056, Example 50B)Show SMILES Cc1cnc(c(C)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1ccc(n1)C(C)(C)O |(.42,-17.16,;1.75,-17.93,;3.08,-17.16,;4.42,-17.93,;4.42,-19.47,;3.08,-20.24,;3.08,-21.78,;1.75,-19.47,;.42,-20.24,;.42,-21.78,;1.75,-22.55,;-.92,-22.55,;-2.25,-21.78,;-3.59,-22.55,;-4.92,-21.78,;-6.25,-22.55,;-7.59,-21.78,;-8.92,-22.55,;-8.92,-24.09,;-10.25,-24.86,;-7.59,-24.86,;-6.25,-24.09,;-4.92,-24.86,;-2.25,-20.24,;-3.59,-19.47,;-.92,-19.47,;-.92,-17.93,;5.75,-20.24,;5.91,-21.77,;7.42,-22.09,;8.19,-20.76,;7.16,-19.61,;9.72,-20.6,;10.35,-19.19,;10.62,-21.84,;11.25,-20.44,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605889
(US11680056, Example 43A | US11680056, Example 43B)Show SMILES CN(CCO)c1nccc(n1)-c1cc(c(C)cn1)-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |(10.03,-17,;10.03,-18.54,;11.36,-19.31,;12.7,-18.54,;14.03,-19.31,;8.7,-19.31,;8.7,-20.85,;7.36,-21.62,;6.03,-20.85,;6.03,-19.31,;7.36,-18.54,;4.69,-18.54,;3.36,-19.31,;2.03,-18.54,;2.03,-17,;.69,-16.23,;3.36,-16.23,;4.69,-17,;.69,-19.31,;.69,-20.85,;2.03,-21.62,;-.64,-21.62,;-1.97,-20.85,;-3.31,-21.62,;-4.64,-20.85,;-5.97,-21.62,;-7.31,-20.85,;-8.64,-21.62,;-8.64,-23.16,;-9.98,-23.93,;-7.31,-23.93,;-5.97,-23.16,;-4.64,-23.93,;-1.97,-19.31,;-3.31,-18.54,;-.64,-18.54,;-.64,-17,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605848
(US11680056, Example 26A | US11680056, Example 26B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C1CC(O)C1 |(-.82,-21.25,;.52,-22.02,;1.85,-21.25,;3.18,-22.02,;3.18,-23.56,;1.85,-24.33,;.52,-23.56,;-.82,-24.33,;-.82,-25.87,;.52,-26.64,;-2.15,-26.64,;-3.48,-25.87,;-4.82,-26.64,;-6.15,-25.87,;-7.48,-26.64,;-8.82,-25.87,;-10.15,-26.64,;-10.15,-28.18,;-11.49,-28.95,;-8.82,-28.95,;-7.48,-28.18,;-6.15,-28.95,;-3.48,-24.33,;-4.82,-23.56,;-2.15,-23.56,;-2.15,-22.02,;4.52,-24.33,;4.52,-25.87,;5.85,-26.64,;7.19,-25.87,;7.19,-24.33,;5.85,-23.56,;8.52,-23.56,;10.01,-23.96,;10.41,-22.47,;11.74,-21.7,;8.92,-22.07,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605907
(US11680056, Example 52A | US11680056, Example 52B)Show SMILES Cc1cc(OCc2ncc(F)cc2F)c(Cl)c(=O)n1-c1ccnc(c1C)-n1ccc(n1)C(C)(C)O |(1.73,-32.19,;.39,-31.42,;-.94,-32.19,;-2.27,-31.42,;-3.61,-32.19,;-4.94,-31.42,;-6.27,-32.19,;-7.61,-31.42,;-8.94,-32.19,;-8.94,-33.73,;-10.28,-34.5,;-7.61,-34.5,;-6.27,-33.73,;-4.94,-34.5,;-2.27,-29.88,;-3.61,-29.11,;-.94,-29.11,;-.94,-27.57,;.39,-29.88,;1.73,-29.11,;1.73,-27.57,;3.06,-26.8,;4.4,-27.57,;4.4,-29.11,;3.06,-29.88,;3.06,-31.42,;5.73,-29.88,;5.89,-31.41,;7.4,-31.73,;8.17,-30.4,;7.14,-29.25,;9.7,-30.24,;10.32,-28.83,;10.6,-31.48,;11.23,-30.08,)| | MMDB
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BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605895
(US11680056, Example 46A | US11680056, Example 46B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1ccc(CC(C)(C)O)n1 |(-2.78,5.87,;-1.44,5.1,;-.11,5.87,;1.23,5.1,;1.23,3.56,;-.11,2.79,;-1.44,3.56,;-2.78,2.79,;-2.78,1.25,;-1.44,.48,;-4.11,.48,;-5.44,1.25,;-6.78,.48,;-8.11,1.25,;-9.44,.48,;-10.78,1.25,;-12.11,.48,;-12.11,-1.06,;-13.45,-1.83,;-10.78,-1.83,;-9.44,-1.06,;-8.11,-1.83,;-5.44,2.79,;-6.78,3.56,;-4.11,3.56,;-4.11,5.1,;2.56,2.79,;2.72,1.26,;4.23,.94,;5,2.27,;6.53,2.43,;7.43,1.19,;8.96,1.35,;6.81,-.22,;8.34,-.06,;3.97,3.41,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605869
(US11680056, Example 35A | US11680056, Example 35B ...)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(O)C1CC1 |(2.2,-19.35,;.87,-20.12,;.87,-21.66,;-.47,-22.43,;-1.8,-21.66,;-1.8,-20.12,;-.47,-19.35,;-.47,-17.81,;.87,-17.04,;2.2,-17.81,;.87,-15.5,;-.47,-14.73,;-.47,-13.19,;.87,-12.42,;2.2,-13.19,;2.2,-14.73,;3.53,-15.5,;4.87,-14.73,;6.2,-15.5,;4.87,-13.19,;3.53,-12.42,;3.53,-10.88,;-1.8,-15.5,;-3.13,-14.73,;-1.8,-17.04,;-3.13,-17.81,;-3.13,-22.43,;-3.13,-23.97,;-4.47,-24.74,;-5.8,-23.97,;-5.8,-22.43,;-4.47,-21.66,;-7.13,-21.66,;-8.47,-22.43,;-7.13,-20.12,;-6.36,-18.79,;-7.9,-18.79,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605865
(US11680056, Example 34A)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1cccc(Br)n1 |(.17,14.24,;-1.16,13.47,;-1.16,11.93,;-2.5,11.16,;-3.83,11.93,;-3.83,13.47,;-2.5,14.24,;-2.5,15.78,;-1.16,16.55,;.17,15.78,;-1.16,18.09,;-2.5,18.86,;-2.5,20.4,;-1.16,21.17,;.17,20.4,;.17,18.86,;1.5,18.09,;2.84,18.86,;4.17,18.09,;2.84,20.4,;1.5,21.17,;1.5,22.71,;-3.83,18.09,;-5.17,18.86,;-3.83,16.55,;-5.17,15.78,;-5.17,11.16,;-5.17,9.62,;-6.5,8.85,;-7.83,9.62,;-7.83,11.16,;-9.17,11.93,;-6.5,11.93,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605859
(US11680056, Example 32A | US11680056, Example 32B ...)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccc2CCC(C)(O)c2n1 |(2.17,-21.61,;.83,-22.38,;.83,-23.92,;-.5,-24.69,;-1.83,-23.92,;-1.83,-22.38,;-.5,-21.61,;-.5,-20.07,;.83,-19.3,;2.17,-20.07,;.83,-17.76,;-.5,-16.99,;-.5,-15.45,;.83,-14.68,;2.17,-15.45,;2.17,-16.99,;3.5,-17.76,;4.84,-16.99,;6.17,-17.76,;4.84,-15.45,;3.5,-14.68,;3.5,-13.14,;-1.83,-17.76,;-3.17,-16.99,;-1.83,-19.3,;-3.17,-20.07,;-3.17,-24.69,;-3.17,-26.23,;-4.5,-27,;-5.83,-26.23,;-7.3,-26.7,;-8.2,-25.46,;-7.3,-24.21,;-8.07,-22.88,;-6.53,-22.88,;-5.83,-24.69,;-4.5,-23.92,)| | MMDB
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Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605923
(US11680056, Example 60B)Show SMILES COC(=O)C(C)(C)c1nccc(n1)-c1nccc(c1C)-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |(11.7,-15.84,;10.37,-15.07,;9.03,-15.84,;9.03,-17.38,;7.7,-15.07,;6.93,-13.73,;8.47,-13.73,;6.37,-15.84,;6.37,-17.38,;5.03,-18.15,;3.7,-17.38,;3.7,-15.84,;5.03,-15.07,;2.36,-15.07,;2.36,-13.53,;1.03,-12.76,;-.3,-13.53,;-.3,-15.07,;1.03,-15.84,;1.03,-17.38,;-1.64,-15.84,;-1.64,-17.38,;-.3,-18.15,;-2.97,-18.15,;-4.3,-17.38,;-5.64,-18.15,;-6.97,-17.38,;-8.31,-18.15,;-9.64,-17.38,;-10.97,-18.15,;-10.97,-19.69,;-12.31,-20.46,;-9.64,-20.46,;-8.31,-19.69,;-6.97,-20.46,;-4.3,-15.84,;-5.64,-15.07,;-2.97,-15.07,;-2.97,-13.53,)| | MMDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605863
(US11680056, Example 33A | US11680056, Example 33B)Show SMILES Cc1sc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(1.6,-64.23,;.14,-64.7,;-.34,-66.17,;-1.88,-66.17,;-2.35,-64.7,;-1.11,-63.8,;-1.11,-62.26,;.23,-61.49,;1.56,-62.26,;.23,-59.95,;-1.11,-59.18,;-1.11,-57.64,;.23,-56.87,;1.56,-57.64,;1.56,-59.18,;2.9,-59.95,;4.23,-59.18,;5.56,-59.95,;4.23,-57.64,;2.9,-56.87,;2.9,-55.33,;-2.44,-59.95,;-3.77,-59.18,;-2.44,-61.49,;-3.77,-62.26,;-2.78,-67.41,;-2.15,-68.82,;-3.06,-70.07,;-4.59,-69.91,;-5.22,-68.5,;-4.31,-67.25,;-6.75,-68.34,;-6.35,-66.85,;-8.08,-67.57,;-7.65,-69.58,)| | MMDB
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| PC cid
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UniChem
| | n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605891
(US11680056, Example 44A | US11680056, Example 44B)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1ccc(n1)C(=O)NC1CC1 |(.9,-22.44,;2.24,-23.21,;3.57,-22.44,;4.91,-23.21,;4.91,-24.75,;3.57,-25.52,;2.24,-24.75,;.9,-25.52,;.9,-27.06,;2.24,-27.83,;-.43,-27.83,;-1.76,-27.06,;-3.1,-27.83,;-4.43,-27.06,;-5.76,-27.83,;-7.1,-27.06,;-8.43,-27.83,;-8.43,-29.37,;-9.76,-30.14,;-7.1,-30.14,;-5.76,-29.37,;-4.43,-30.14,;-1.76,-25.52,;-3.1,-24.75,;-.43,-24.75,;-.43,-23.21,;6.24,-25.52,;6.4,-27.05,;7.91,-27.37,;8.68,-26.04,;7.65,-24.89,;10.21,-25.88,;10.83,-24.47,;11.11,-27.12,;12.65,-26.96,;14.07,-27.55,;13.87,-26.02,)| | MMDB
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| PC cid
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UniChem
| | n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605869
(US11680056, Example 35A | US11680056, Example 35B ...)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(O)C1CC1 |(2.2,-19.35,;.87,-20.12,;.87,-21.66,;-.47,-22.43,;-1.8,-21.66,;-1.8,-20.12,;-.47,-19.35,;-.47,-17.81,;.87,-17.04,;2.2,-17.81,;.87,-15.5,;-.47,-14.73,;-.47,-13.19,;.87,-12.42,;2.2,-13.19,;2.2,-14.73,;3.53,-15.5,;4.87,-14.73,;6.2,-15.5,;4.87,-13.19,;3.53,-12.42,;3.53,-10.88,;-1.8,-15.5,;-3.13,-14.73,;-1.8,-17.04,;-3.13,-17.81,;-3.13,-22.43,;-3.13,-23.97,;-4.47,-24.74,;-5.8,-23.97,;-5.8,-22.43,;-4.47,-21.66,;-7.13,-21.66,;-8.47,-22.43,;-7.13,-20.12,;-6.36,-18.79,;-7.9,-18.79,)| | MMDB
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| PC cid
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UniChem
| | n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605913
(US11680056, Example 55)Show SMILES COCC(C)(O)c1nccc(n1)-c1cc(c(C)cn1)-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |(14.08,-3.29,;12.75,-2.52,;11.42,-3.29,;10.08,-2.52,;10.85,-1.19,;9.31,-1.19,;8.75,-3.29,;8.75,-4.83,;7.42,-5.6,;6.08,-4.83,;6.08,-3.29,;7.42,-2.52,;4.75,-2.52,;3.42,-3.29,;2.08,-2.52,;2.08,-.98,;.75,-.21,;3.42,-.21,;4.75,-.98,;.75,-3.29,;.75,-4.83,;2.08,-5.6,;-.59,-5.6,;-1.92,-4.83,;-3.25,-5.6,;-4.59,-4.83,;-5.92,-5.6,;-7.25,-4.83,;-8.59,-5.6,;-8.59,-7.14,;-9.92,-7.91,;-7.25,-7.91,;-5.92,-7.14,;-4.59,-7.91,;-1.92,-3.29,;-3.25,-2.52,;-.59,-2.52,;-.59,-.98,)| | MMDB
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| PC cid
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UniChem
| | n/a | n/a | 63.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605937
(US11680056, Example 67B)Show SMILES Cc1cnc(c(F)c1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.77,15.13,;-1.44,14.36,;-.11,15.13,;1.23,14.36,;1.23,12.82,;-.11,12.05,;-.11,10.51,;-1.44,12.82,;-2.77,12.05,;-2.51,10.51,;-1.17,9.74,;-4.11,9.74,;-5.44,10.51,;-6.77,9.74,;-8.11,10.51,;-9.44,9.74,;-10.78,10.51,;-12.11,9.74,;-12.11,8.2,;-13.44,7.43,;-10.78,7.43,;-9.44,8.2,;-8.11,7.43,;-5.44,12.05,;-6.77,12.82,;-4.11,12.82,;-4.11,14.36,;2.56,12.05,;3.89,12.82,;2.56,10.51,;2.56,13.59,)| | MMDB
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AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5 Isoform 2
(Homo sapiens (Human)) | BDBM605905
(US11680056, Example 51A)Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)[Sn](C)(C)C |(-2.83,11.26,;-1.5,10.49,;-.16,11.26,;1.17,10.49,;1.17,8.95,;-.16,8.18,;-1.5,8.95,;-2.83,8.18,;-2.83,6.64,;-1.5,5.87,;-4.16,5.87,;-5.5,6.64,;-6.83,5.87,;-8.16,6.64,;-9.5,5.87,;-10.83,6.64,;-12.17,5.87,;-12.17,4.33,;-13.5,3.56,;-10.83,3.56,;-9.5,4.33,;-8.16,3.56,;-5.5,8.18,;-6.83,8.95,;-4.16,8.95,;-4.16,10.49,;2.51,8.18,;2.51,9.72,;3.84,8.95,;2.51,6.64,)| | MMDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29G5RXB |
More data for this
Ligand-Target Pair | |
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