Found 1144 hits with Last Name = 'koyama' and Initial = 'h' 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 |
|---|
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596984
(CHEMBL5207485)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596980
(CHEMBL5180404)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCCN2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596981
(CHEMBL5186476)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC2(CCNC2)CC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596973
(CHEMBL5206956)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596982
(CHEMBL5177471)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)N2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596983
(CHEMBL5190070)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)C1CC1NCC(=O)N1CCC(CC1)N1CC2CCC(C1)O2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50568522
(CHEMBL4864352)Show SMILES CN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596974
(CHEMBL5175317)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCCc1ccc(F)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596972
(CHEMBL5172654)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccccc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596975
(CHEMBL5184132)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cccnc1F | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596976
(CHEMBL5200476)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1ccnc(F)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596977
(CHEMBL5179061)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cc[nH]n1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596985
(CHEMBL5170156)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596978
(CHEMBL5171912)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cnn(C)c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Lysine-specific histone demethylase 1A
(Homo sapiens (Human)) | BDBM50596979
(CHEMBL5181710)Show SMILES COCCN1CCN(CC1)C(=O)CNC1CC1c1cc(F)cc(F)c1OCc1cscn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50596984
(CHEMBL5207485)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50596985
(CHEMBL5170156)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50596984
(CHEMBL5207485)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@H]1C[C@@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] B
(Homo sapiens (Human)) | BDBM50596985
(CHEMBL5170156)Show SMILES Fc1cc(F)c(OCc2cccnc2F)c(c1)[C@@H]1C[C@H]1NCC(=O)N1CCC2(CCNC2)CC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00120
BindingDB Entry DOI: 10.7270/Q2FR01MQ |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511570
(CHEMBL4442053)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CS(C)(=O)=O)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H25F2N5O4S/c1-27-7-3-4-14-18(27)25-21(26-19(14)30)28-8-5-22(6-9-28)17-15(24)10-13(23)11-16(17)29(20(22)31)12-34(2,32)33/h10-11H,3-9,12H2,1-2H3,(H,25,26,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511541
(CHEMBL4572668)Show SMILES COCCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511561
(CHEMBL4446044)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCOCC1 Show InChI InChI=1S/C25H31FN6O3/c1-29-7-3-4-17-21(29)27-24(28-22(17)33)32-8-5-25(6-9-32)20-18(26)14-16(31-10-12-35-13-11-31)15-19(20)30(2)23(25)34/h14-15H,3-13H2,1-2H3,(H,27,28,33) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511546
(CHEMBL4553990)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OC1CCN(C)CC1)cc2F Show InChI InChI=1S/C27H35FN6O3/c1-31-11-6-17(7-12-31)37-18-15-20(28)22-21(16-18)33(3)25(36)27(22)8-13-34(14-9-27)26-29-23-19(24(35)30-26)5-4-10-32(23)2/h15-17H,4-14H2,1-3H3,(H,29,30,35) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511565
(CHEMBL4539435)Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r| Show InChI InChI=1S/C27H36FN7O2/c1-16-14-35(15-17(2)29-16)18-12-20(28)22-21(13-18)33(4)25(37)27(22)7-10-34(11-8-27)26-30-23-19(24(36)31-26)6-5-9-32(23)3/h12-13,16-17,29H,5-11,14-15H2,1-4H3,(H,30,31,36)/t16-,17+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511553
(CHEMBL4532667)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F2N6O2/c1-28-7-2-3-14-18(28)26-21(27-19(14)31)29-8-4-22(5-9-29)17-15(24)11-13(23)12-16(17)30(10-6-25)20(22)32/h11-12H,2-5,7-10H2,1H3,(H,26,27,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511568
(CHEMBL4470218)Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29) | PDB
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| Article
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511537
(CHEMBL4470270)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(F)(F)F)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F5N5O2/c1-30-6-2-3-13-17(30)28-20(29-18(13)33)31-7-4-21(5-8-31)16-14(24)9-12(23)10-15(16)32(19(21)34)11-22(25,26)27/h9-10H,2-8,11H2,1H3,(H,28,29,33) | PDB
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antibodypedia
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| Article
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511536
(CHEMBL4585076)Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31) | PDB
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| Article
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50268924
(CHEMBL4075002)Show SMILES CC(C)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.16,wD:9.9,(9.09,-24.29,;10.12,-23.15,;11.63,-23.47,;9.65,-21.68,;8.15,-21.36,;7.68,-19.91,;8.71,-18.78,;10.2,-19.09,;10.67,-20.55,;8.23,-17.32,;9.26,-16.18,;8.78,-14.71,;7.27,-14.4,;6.24,-15.55,;6.72,-17.01,;6.79,-12.95,;7.69,-11.68,;6.77,-10.43,;7.24,-8.96,;8.75,-8.65,;9.21,-7.18,;8.17,-6.04,;8.64,-4.57,;10.14,-4.24,;11.18,-5.38,;12.68,-5.04,;13.15,-3.57,;12.1,-2.44,;10.6,-2.77,;6.66,-6.37,;6.2,-7.84,;5.3,-10.92,;3.96,-10.16,;3.96,-8.62,;2.64,-10.92,;2.64,-12.47,;3.96,-13.24,;5.31,-12.47,)| Show InChI InChI=1S/C31H38N6O/c1-22(2)35-16-18-36(19-17-35)24-10-12-25(13-11-24)37-20-28(29-30(32)33-21-34-31(29)37)23-8-14-27(15-9-23)38-26-6-4-3-5-7-26/h3-9,14-15,20-22,24-25H,10-13,16-19H2,1-2H3,(H2,32,33,34)/t24-,25- | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 0.257 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Center for Life Science Technologies
Curated by ChEMBL
| Assay Description
Inhibition of HCK (unknown origin) |
Bioorg Med Chem 25: 4259-4264 (2017)
Article DOI: 10.1016/j.bmc.2017.05.053
BindingDB Entry DOI: 10.7270/Q2SB4875 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50268924
(CHEMBL4075002)Show SMILES CC(C)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:12.16,wD:9.9,(9.09,-24.29,;10.12,-23.15,;11.63,-23.47,;9.65,-21.68,;8.15,-21.36,;7.68,-19.91,;8.71,-18.78,;10.2,-19.09,;10.67,-20.55,;8.23,-17.32,;9.26,-16.18,;8.78,-14.71,;7.27,-14.4,;6.24,-15.55,;6.72,-17.01,;6.79,-12.95,;7.69,-11.68,;6.77,-10.43,;7.24,-8.96,;8.75,-8.65,;9.21,-7.18,;8.17,-6.04,;8.64,-4.57,;10.14,-4.24,;11.18,-5.38,;12.68,-5.04,;13.15,-3.57,;12.1,-2.44,;10.6,-2.77,;6.66,-6.37,;6.2,-7.84,;5.3,-10.92,;3.96,-10.16,;3.96,-8.62,;2.64,-10.92,;2.64,-12.47,;3.96,-13.24,;5.31,-12.47,)| Show InChI InChI=1S/C31H38N6O/c1-22(2)35-16-18-36(19-17-35)24-10-12-25(13-11-24)37-20-28(29-30(32)33-21-34-31(29)37)23-8-14-27(15-9-23)38-26-6-4-3-5-7-26/h3-9,14-15,20-22,24-25H,10-13,16-19H2,1-2H3,(H2,32,33,34)/t24-,25- | PDB
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Reactome pathway
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| PC cid
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PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Center for Life Science Technologies
Curated by ChEMBL
| Assay Description
Inhibition of HCK (unknown origin) |
Bioorg Med Chem 25: 4259-4264 (2017)
Article DOI: 10.1016/j.bmc.2017.05.053
BindingDB Entry DOI: 10.7270/Q2SB4875 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511557
(CHEMBL4544771)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCOCC1)cc2F Show InChI InChI=1S/C27H35FN6O4/c1-31-7-3-4-19-23(31)29-26(30-24(19)35)34-8-5-27(6-9-34)22-20(28)16-18(17-21(22)32(2)25(27)36)38-15-12-33-10-13-37-14-11-33/h16-17H,3-15H2,1-2H3,(H,29,30,35) | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511538
(CHEMBL4466701)Show SMILES COCCN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C23H27F2N5O3/c1-28-7-3-4-15-19(28)26-22(27-20(15)31)29-8-5-23(6-9-29)18-16(25)12-14(24)13-17(18)30(21(23)32)10-11-33-2/h12-13H,3-11H2,1-2H3,(H,26,27,31) | PDB
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| PC cid
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| Article
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511545
(CHEMBL4581567)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c21 Show InChI InChI=1S/C24H27F2N5O3/c1-29-6-2-3-16-20(29)27-23(28-21(16)32)30-7-4-24(5-8-30)19-17(26)9-15(25)10-18(19)31(22(24)33)11-14-12-34-13-14/h9-10,14H,2-8,11-13H2,1H3,(H,27,28,32) | PDB
KEGG
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511548
(CHEMBL4449082)Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r| Show InChI InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+ | PDB
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| PC cid
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| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511539
(CHEMBL4457037)Show SMILES CN(C)CCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C25H33FN6O3/c1-29(2)12-13-35-16-14-18(26)20-19(15-16)31(4)23(34)25(20)7-10-32(11-8-25)24-27-21-17(22(33)28-24)6-5-9-30(21)3/h14-15H,5-13H2,1-4H3,(H,27,28,33) | PDB
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511556
(CHEMBL4525942)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCCC1)cc2F Show InChI InChI=1S/C27H35FN6O3/c1-31-9-5-6-19-23(31)29-26(30-24(19)35)34-12-7-27(8-13-34)22-20(28)16-18(17-21(22)32(2)25(27)36)37-15-14-33-10-3-4-11-33/h16-17H,3-15H2,1-2H3,(H,29,30,35) | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
MMDB
Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Center for Life Science Technologies
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human HCK SH3-SH2-KD (75 to 526 residues) after 20 mins by mobility shift assay |
Bioorg Med Chem Lett 27: 4994-4998 (2017)
Article DOI: 10.1016/j.bmcl.2017.10.012
BindingDB Entry DOI: 10.7270/Q2X92DV1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
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Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | 0.427 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Center for Life Science Technologies
Curated by ChEMBL
| Assay Description
Inhibition of HCK (75 to 526 residues) (unknown origin) expressed in Sf9 insect cells after 120 mins |
Bioorg Med Chem 25: 4259-4264 (2017)
Article DOI: 10.1016/j.bmc.2017.05.053
BindingDB Entry DOI: 10.7270/Q2SB4875 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM8793
(7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phen...)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)| Show InChI InChI=1S/C29H34N6O/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32)/t22-,23- | PDB
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| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Center for Life Science Technologies
Curated by ChEMBL
| Assay Description
Inhibition of human HCK (81 to 526 residues) expressed in Sf9 insect cells after 120 mins |
Bioorg Med Chem 25: 4259-4264 (2017)
Article DOI: 10.1016/j.bmc.2017.05.053
BindingDB Entry DOI: 10.7270/Q2SB4875 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511542
(CHEMBL4467730)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCCCC1 Show InChI InChI=1S/C26H33FN6O2/c1-30-10-6-7-18-22(30)28-25(29-23(18)34)33-13-8-26(9-14-33)21-19(27)15-17(32-11-4-3-5-12-32)16-20(21)31(2)24(26)35/h15-16H,3-14H2,1-2H3,(H,28,29,34) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511555
(CHEMBL4464007)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(O)CO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C23H27F2N5O4/c1-28-6-2-3-15-19(28)26-22(27-20(15)33)29-7-4-23(5-8-29)18-16(25)9-13(24)10-17(18)30(21(23)34)11-14(32)12-31/h9-10,14,31-32H,2-8,11-12H2,1H3,(H,26,27,33) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511569
(CHEMBL4463639)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCO)cc2F Show InChI InChI=1S/C23H28FN5O4/c1-27-7-3-4-15-19(27)25-22(26-20(15)31)29-8-5-23(6-9-29)18-16(24)12-14(33-11-10-30)13-17(18)28(2)21(23)32/h12-13,30H,3-11H2,1-2H3,(H,25,26,31) | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511560
(CHEMBL4582280)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCN(C)CC1 Show InChI InChI=1S/C26H34FN7O2/c1-30-11-13-33(14-12-30)17-15-19(27)21-20(16-17)32(3)24(36)26(21)6-9-34(10-7-26)25-28-22-18(23(35)29-25)5-4-8-31(22)2/h15-16H,4-14H2,1-3H3,(H,28,29,35) | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511567
(CHEMBL4441063)Show SMILES Cn1ccc2c1nc([nH]c2=O)N1CCC2(CN(CCO)c3cc(F)cc(F)c23)CC1 Show InChI InChI=1S/C21H23F2N5O2/c1-26-5-2-14-18(26)24-20(25-19(14)30)27-6-3-21(4-7-27)12-28(8-9-29)16-11-13(22)10-15(23)17(16)21/h2,5,10-11,29H,3-4,6-9,12H2,1H3,(H,24,25,30) | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511544
(CHEMBL4445363)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H25F2N5O3/c1-27-6-2-3-14-18(27)25-21(26-19(14)31)28-7-4-22(5-8-28)17-15(24)11-13(23)12-16(17)29(9-10-30)20(22)32/h11-12,30H,2-10H2,1H3,(H,25,26,31) | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511558
(CHEMBL4441668)Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OCCN1CCN(C)CC1)cc2F Show InChI InChI=1S/C28H38FN7O3/c1-32-11-13-35(14-12-32)15-16-39-19-17-21(29)23-22(18-19)34(3)26(38)28(23)6-9-36(10-7-28)27-30-24-20(25(37)31-27)5-4-8-33(24)2/h17-18H,4-16H2,1-3H3,(H,30,31,37) | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Activin receptor type-1 [R206H]
(Homo sapiens (Human)) | BDBM488058
(N-(4-(4-(2- Methoxyethyl)piperazin- 1-yl)phenyl)-4...)Show SMILES COCCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cn(nc2-c2cccnc2)C2CCOC2)cc1 Show InChI InChI=1S/C29H34N8O2/c1-38-18-16-35-12-14-36(15-13-35)24-6-4-23(5-7-24)32-29-31-11-8-27(33-29)26-20-37(25-9-17-39-21-25)34-28(26)22-3-2-10-30-19-22/h2-8,10-11,19-20,25H,9,12-18,21H2,1H3,(H,31,32,33) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN; THE UNIVERSITY OF TOKYO
US Patent
| Assay Description
R206H: An overview of evaluation of an inhibitory effect of a compound of the present invention with respect to ALK2 (R206H) is as follows.In a buffe... |
US Patent US10954216 (2021)
BindingDB Entry DOI: 10.7270/Q2P84G0W |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511541
(CHEMBL4572668)Show SMILES COCCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31) | PDB
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Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511550
(CHEMBL4460022)Show SMILES Cn1ccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C21H21F2N5O3/c1-26-5-2-13-17(26)24-20(25-18(13)30)27-6-3-21(4-7-27)16-14(23)10-12(22)11-15(16)28(8-9-29)19(21)31/h2,5,10-11,29H,3-4,6-9H2,1H3,(H,24,25,30) | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2
(Homo sapiens (Human)) | BDBM50511553
(CHEMBL4532667)Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F2N6O2/c1-28-7-2-3-14-18(28)26-21(27-19(14)31)29-8-4-22(5-9-29)17-15(24)11-13(23)12-16(17)30(10-6-25)20(22)32/h11-12H,2-5,7-10H2,1H3,(H,26,27,31) | PDB
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Japanese Foundation for Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas... |
J Med Chem 63: 4183-4204 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00045
BindingDB Entry DOI: 10.7270/Q2XD150K |
More data for this
Ligand-Target Pair | |
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