Found 501 hits with Last Name = 'guler' and Initial = 's' 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 |
|---|
Collagenase 3
(Homo sapiens (Human)) | BDBM50356214
(CHEMBL1910471)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-12-8-21(9-13-23)20-6-10-22(11-7-20)32-16-19-5-3-4-18(14-19)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356215
(CHEMBL1910473)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-21(10-14-23)20-7-11-22(12-8-20)32-16-19-5-3-18(15-26)4-6-19/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356209
(CHEMBL1910466)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(C)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H26N2O5S/c1-16(2)23(24(27)28)26-32(29,30)22-10-6-20(7-11-22)19-4-8-21(9-5-19)31-15-18-12-13-25-17(3)14-18/h4-14,16,23,26H,15H2,1-3H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356210
(CHEMBL1910467)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccnc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23F3N2O5S/c1-15(2)22(23(30)31)29-35(32,33)20-9-5-18(6-10-20)17-3-7-19(8-4-17)34-14-16-11-12-28-21(13-16)24(25,26)27/h3-13,15,22,29H,14H2,1-2H3,(H,30,31)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356208
(CHEMBL1910465)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccncc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O5S/c1-16(2)22(23(26)27)25-31(28,29)21-9-5-19(6-10-21)18-3-7-20(8-4-18)30-15-17-11-13-24-14-12-17/h3-14,16,22,25H,15H2,1-2H3,(H,26,27)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356222
(CHEMBL1910648)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(Cl)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24ClNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356206
(CHEMBL1910459)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc3ccccc3c2)cc1)C(O)=O |r| Show InChI InChI=1S/C28H27NO5S/c1-19(2)27(28(30)31)29-35(32,33)26-15-11-23(12-16-26)22-9-13-25(14-10-22)34-18-20-7-8-21-5-3-4-6-24(21)17-20/h3-17,19,27,29H,18H2,1-2H3,(H,30,31)/t27-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356218
(CHEMBL1910476)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N2O7S/c1-16(2)23(24(27)28)25-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)26(29)30/h3-14,16,23,25H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29923
(US11066414, Comparative Example 1 | substituted 6-...)Show SMILES CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Show InChI InChI=1S/C26H25Cl2FN8/c1-2-36-7-5-20(6-8-36)37-15-19(34-35-37)14-31-18-9-21-25(33-17-3-4-24(29)22(27)10-17)16(12-30)13-32-26(21)23(28)11-18/h3-4,9-11,13,15,20,31H,2,5-8,14H2,1H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356216
(CHEMBL1910474)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-13-7-19(8-14-22)18-5-11-21(12-6-18)34-15-17-3-9-20(10-4-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1 | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615065
(CHEMBL5280227)Show SMILES CC1(C)CNCc2cc(Nc3ncc4c(ccn(-c5c(Cl)cccc5Cl)c4=O)n3)ccc12 |(-8.4,1.48,;-7.31,.4,;-6.92,1.88,;-8.65,-.37,;-8.65,-1.92,;-7.31,-2.69,;-5.97,-1.92,;-4.65,-2.7,;-3.31,-1.92,;-1.98,-2.68,;-.66,-1.91,;-.66,-.37,;.67,.41,;2,-.36,;2,-1.91,;3.34,-2.68,;4.67,-1.91,;4.67,-.36,;6,.4,;6,1.93,;4.67,2.7,;7.32,2.69,;8.65,1.93,;8.65,.4,;7.33,-.37,;7.33,-1.9,;3.34,.41,;3.34,1.94,;.67,-2.67,;-3.31,-.37,;-4.65,.39,;-5.97,-.37,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29910
(substituted 6-aminoquinoline-3-carbonitrile, 21)Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccccn5)nn4)cc23)C#N)cc1Cl Show InChI InChI=1S/C25H17Cl2FN8/c26-21-8-16(4-5-23(21)28)33-24-15(10-29)11-32-25-20(24)7-18(9-22(25)27)31-12-19-14-36(35-34-19)13-17-3-1-2-6-30-17/h1-9,11,14,31H,12-13H2,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM21922
(8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[(2H...)Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4nnn[nH]4)cc23)C#N)cc1Cl Show InChI InChI=1S/C18H11Cl2FN8/c19-13-4-10(1-2-15(13)21)25-17-9(6-22)7-24-18-12(17)3-11(5-14(18)20)23-8-16-26-28-29-27-16/h1-5,7,23H,8H2,(H,24,25)(H,26,27,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues was detected by an ELISA. IC50 calculati... |
J Med Chem 50: 4728-45 (2007)
Article DOI: 10.1021/jm070436q
BindingDB Entry DOI: 10.7270/Q2891441 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356221
(CHEMBL1910647)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(F)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H24FNO5S/c1-16(2)23(24(27)28)26-32(29,30)22-12-8-19(9-13-22)18-6-10-21(11-7-18)31-15-17-4-3-5-20(25)14-17/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29922
(substituted 6-aminoquinoline-3-carbonitrile, 33)Show SMILES CN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1 Show InChI InChI=1S/C25H23Cl2FN8/c1-35-6-4-19(5-7-35)36-14-18(33-34-36)13-30-17-8-20-24(32-16-2-3-23(28)21(26)9-16)15(11-29)12-31-25(20)22(27)10-17/h2-3,8-10,12,14,19,30H,4-7,13H2,1H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615046
(CHEMBL5289001)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(-c2ccccc2F)c3=O)cc1 |(-10.15,5.03,;-8.82,4.28,;-7.5,5.05,;-6.14,4.29,;-6.14,2.75,;-7.48,1.98,;-8.82,2.74,;-4.81,1.99,;-4.81,.46,;-3.47,-.3,;-2.14,.47,;-.81,-.29,;.51,.48,;.51,2.02,;1.84,2.8,;3.17,2.02,;3.17,.47,;1.84,-.29,;4.64,-0,;5.11,-1.46,;4.08,-2.6,;4.55,-4.06,;6.05,-4.39,;7.08,-3.25,;6.62,-1.78,;8.58,-3.57,;9.61,-2.44,;8.98,-5.05,;10.11,-3.57,;5.55,1.25,;7.08,1.25,;7.84,-.08,;9.38,-.08,;10.15,1.26,;9.38,2.58,;7.84,2.58,;7.08,3.91,;4.64,2.49,;5.11,3.95,;-2.14,2.01,;-3.48,2.77,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615031
(CHEMBL5281815)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK1
(Homo sapiens (Human)) | BDBM50402023
(BI 6727 | VOLASERTIB)Show SMILES CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)| Show InChI InChI=1S/C34H50N8O3/c1-6-28-33(44)39(4)29-20-35-34(38-31(29)42(28)22(2)3)37-27-14-9-24(19-30(27)45-5)32(43)36-25-10-12-26(13-11-25)41-17-15-40(16-18-41)21-23-7-8-23/h9,14,19-20,22-23,25-26,28H,6-8,10-13,15-18,21H2,1-5H3,(H,36,43)(H,35,37,38)/t25-,26-,28-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615034
(CHEMBL5288130)Show SMILES CC(C)(O)c1cccc(n1)-n1n(C2CCCC=C2)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(CCO)CC3)nc12 |c:17| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356219
(CHEMBL1910649)Show SMILES COC(=O)c1cccc(COc2ccc(cc2)-c2ccc(cc2)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c1 |r| Show InChI InChI=1S/C26H27NO7S/c1-17(2)24(25(28)29)27-35(31,32)23-13-9-20(10-14-23)19-7-11-22(12-8-19)34-16-18-5-4-6-21(15-18)26(30)33-3/h4-15,17,24,27H,16H2,1-3H3,(H,28,29)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356220
(CHEMBL1910650)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C25H25NO7S/c1-16(2)23(25(29)30)26-34(31,32)22-12-8-19(9-13-22)18-6-10-21(11-7-18)33-15-17-4-3-5-20(14-17)24(27)28/h3-14,16,23,26H,15H2,1-2H3,(H,27,28)(H,29,30)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615029
(CHEMBL5272346)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615037
(CHEMBL5285844)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(C)n3)n(CC=C)c4=O)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615032
(CHEMBL5268938)Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:39| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518537
(2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6...)Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(CC=C)c4=O)ccc2C(C)(C)C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615030
(CHEMBL5286243)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:33| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29912
(substituted 6-aminoquinoline-3-carbonitrile, 23)Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4ccncc4)cc23)C#N)cc1Cl Show InChI InChI=1S/C24H15Cl2FN8/c25-20-8-15(1-2-22(20)27)32-23-14(10-28)11-31-24-19(23)7-16(9-21(24)26)30-12-17-13-35(34-33-17)18-3-5-29-6-4-18/h1-9,11,13,30H,12H2,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50240826
(AZD-1775 | MK-1775 | US11124518, Example AZD1775 |...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 Show InChI InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615063
(CHEMBL5285363)Show SMILES CN(C)C1CCN(CC1)c1c(C)cc(Nc2ncc3C(=O)N(C4=NCCN4c3n2)c2c(Cl)cccc2Cl)cc1F |t:23| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615039
(CHEMBL5280668)Show SMILES CN1CCC(C)(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM518536
(2-Allyl-6-((4,4-dimethyl-1,2,3,4-tetrahydroisoquin...)Show SMILES CC(C)(O)c1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc4c(CNCC4(C)C)c3)nc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615052
(CHEMBL5283530)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCC=C2)c3=O)cc1 |c:36| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356203
(CHEMBL1910472)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cccc(c2)C(F)(F)F)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO5S/c1-16(2)23(24(30)31)29-35(32,33)22-12-8-19(9-13-22)18-6-10-21(11-7-18)34-15-17-4-3-5-20(14-17)25(26,27)28/h3-14,16,23,29H,15H2,1-2H3,(H,30,31)/t23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615051
(CHEMBL5285960)Show SMILES [H][C@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615036
(CHEMBL5269559)Show SMILES [H][C@@]1(CCCC=C1)n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O |r,c:5| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615054
(CHEMBL5289458)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n([C@@H]2CCC=C2)c3=O)cc1 |r,c:36| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM24047
((2R)-3-methyl-2-[(4-{4-[(3-methyl-1-benzofuran-2-y...)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r| Show InChI InChI=1S/C27H27NO6S/c1-17(2)26(27(29)30)28-35(31,32)22-14-10-20(11-15-22)19-8-12-21(13-9-19)33-16-25-18(3)23-6-4-5-7-24(23)34-25/h4-15,17,26,28H,16H2,1-3H3,(H,29,30)/t26-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 8
(Homo sapiens (Human)) | BDBM29909
(substituted 6-aminoquinoline-3-carbonitrile, 20)Show SMILES Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccncc5)nn4)cc23)C#N)cc1Cl Show InChI InChI=1S/C25H17Cl2FN8/c26-21-8-17(1-2-23(21)28)33-24-16(10-29)11-32-25-20(24)7-18(9-22(25)27)31-12-19-14-36(35-34-19)13-15-3-5-30-6-4-15/h1-9,11,14,31H,12-13H2,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Wyeth Research
| Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ... |
Bioorg Med Chem Lett 19: 3485-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615040
(CHEMBL5289015)Show SMILES C\C=C\n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(CN4CCOCC4)cc3)ncc2c1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615066
(CHEMBL5266595)Show SMILES CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(6.01,-3.86,;4.68,-3.09,;4.68,-1.55,;3.34,-.77,;2,-1.54,;.66,-.77,;-.67,-1.55,;-2,-.78,;-2,.77,;-3.34,1.54,;-4.68,.77,;-4.68,-.78,;-3.34,-1.57,;-6.02,1.55,;-7.36,.78,;-8.69,1.55,;-8.69,3.09,;-10.02,3.86,;-7.36,3.86,;-6.02,3.09,;.66,.77,;2,1.56,;3.34,.78,;4.68,1.55,;6.02,.78,;7.36,1.55,;7.36,3.09,;6.02,3.86,;8.69,3.85,;10.02,3.08,;10.02,1.55,;8.7,.77,;8.7,-.76,;6.02,-.77,;7.36,-1.54,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615050
(CHEMBL5274253)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC=C2)c3=O)cc1 |c:37| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615035
(CHEMBL5291431)Show SMILES CN1Cc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)cc2C1 |c:32| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615024
(CHEMBL5291362)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CN(C)CC4(C)C)c3)ncc2c1=O |(7.16,5.15,;6.4,3.82,;7.17,2.49,;8.71,2.49,;9.48,1.17,;8.72,-.17,;7.18,-.17,;6.41,1.15,;4.88,1.15,;3.97,-.1,;4.45,-1.56,;3.41,-2.7,;3.89,-4.16,;5.39,-4.48,;6.42,-3.34,;5.95,-1.87,;7.92,-3.67,;8.95,-2.53,;8.31,-5.15,;9.4,-4.06,;2.5,.37,;1.17,-.39,;-.16,.37,;-1.48,-.4,;-2.81,.36,;-2.81,1.91,;-4.15,2.68,;-5.48,1.91,;-5.48,.36,;-6.82,-.41,;-8.16,.38,;-9.48,-.39,;-8.16,1.92,;-6.81,2.69,;-7.89,3.77,;-6.04,4.01,;-4.15,-.42,;-.16,1.91,;1.17,2.69,;2.5,1.92,;3.97,2.4,;4.44,3.86,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615038
(CHEMBL5267993)Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n(-c3cccc(n3)C(F)(F)F)n(CC=C)c4=O)cc2C1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50356213
(CHEMBL1910470)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2C#N)cc1)C(O)=O |r| Show InChI InChI=1S/C25H24N2O5S/c1-17(2)24(25(28)29)27-33(30,31)23-13-9-19(10-14-23)18-7-11-22(12-8-18)32-16-21-6-4-3-5-20(21)15-26/h3-14,17,24,27H,16H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6800-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.036
BindingDB Entry DOI: 10.7270/Q2BV7H23 |
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615064
(CHEMBL5290136)Show SMILES CN1Cc2ccc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)cc2C1 |(-9.28,-.41,;-7.75,-.41,;-6.83,.85,;-5.36,.38,;-4.03,1.15,;-2.7,.38,;-2.7,-1.16,;-1.36,-1.93,;-.04,-1.15,;-.04,.39,;1.29,1.17,;2.62,.39,;2.62,-1.15,;1.29,-1.92,;3.96,-1.93,;3.96,-3.46,;5.3,-1.15,;5.3,.39,;6.63,1.16,;6.63,2.69,;5.3,3.46,;7.95,3.45,;9.28,2.69,;9.28,1.16,;7.96,.39,;7.96,-1.14,;3.96,1.16,;3.96,2.7,;-4.03,-1.94,;-5.36,-1.16,;-6.87,-1.63,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615025
(CHEMBL5269631)Show SMILES COc1ccccc1-n1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc4c(CNCC4(C)C)c3)ncc2c1=O |(6.5,5.14,;5.74,3.81,;6.51,2.49,;8.04,2.49,;8.82,1.17,;8.05,-.17,;6.51,-.17,;5.74,1.15,;4.21,1.15,;3.31,-.1,;3.78,-1.56,;2.75,-2.7,;3.22,-4.16,;4.72,-4.48,;5.75,-3.34,;5.29,-1.87,;7.25,-3.66,;8.28,-2.53,;7.65,-5.14,;8.73,-4.06,;1.84,.37,;.51,-.39,;-.82,.37,;-2.15,-.4,;-3.48,.36,;-3.48,1.91,;-4.81,2.68,;-6.14,1.91,;-6.14,.36,;-7.48,-.41,;-8.82,.38,;-8.82,1.92,;-7.47,2.68,;-8.55,3.77,;-6.7,4.01,;-4.81,-.42,;-.82,1.91,;.5,2.69,;1.84,1.92,;3.3,2.4,;3.77,3.85,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615033
(CHEMBL5269511)Show SMILES CN1CCc2cc(Nc3ncc4c(n3)n(-c3cccc(n3)C(C)(C)O)n(C3CCCC=C3)c4=O)ccc2C1 |c:32| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615056
(CHEMBL5266147)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(C2CCCC2)c3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50615060
(CHEMBL5277502)Show SMILES CCCn1n(-c2cccc(n2)C(C)(C)O)c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2c1=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Search and Browse
