Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 15 entry = 50018243 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 |
|---|
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50256044
(5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1| Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,18H,5-6H2,(H,17,21)(H3,16,19,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363648
(CHEMBL1947252)Show SMILES COc1ccc(cc1OC)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:20.21,c:27| Show InChI InChI=1S/C19H19N5O4/c1-27-13-4-3-9(7-14(13)28-2)12-8-11-10(15-18(26)24-19(20)23-15)5-6-21-17(25)16(11)22-12/h3-4,7-8,22H,5-6H2,1-2H3,(H,21,25)(H3,20,23,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363646
(CHEMBL1947250)Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:7.8,t:1| Show InChI InChI=1S/C17H15N5O2/c18-17-21-13(16(24)22-17)10-6-7-19-15(23)14-11(10)8-12(20-14)9-4-2-1-3-5-9/h1-5,8,20H,6-7H2,(H,19,23)(H3,18,21,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363649
(CHEMBL1947253)Show SMILES O=C1N=C(NCc2ccccc2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.16,t:2| Show InChI InChI=1S/C24H21N5O2/c30-22-21-18(13-19(27-21)16-9-5-2-6-10-16)17(11-12-25-22)20-23(31)29-24(28-20)26-14-15-7-3-1-4-8-15/h1-10,13,27H,11-12,14H2,(H,25,30)(H2,26,28,29,31) | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50259155
((Z)-Hymenialdisine | Hymenialdisine)Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4- | PDB
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MCE
PC cid
PC sid
UniChem
| | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363653
(CHEMBL1944822)Show SMILES CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4| Show InChI InChI=1S/C20H21N5O2/c1-2-9-22-20-24-16(19(27)25-20)13-8-10-21-18(26)17-14(13)11-15(23-17)12-6-4-3-5-7-12/h3-7,11,23H,2,8-10H2,1H3,(H,21,26)(H2,22,24,25,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363654
(CHEMBL1944823)Show SMILES CNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:8.19,t:2| Show InChI InChI=1S/C18H17N5O2/c1-19-18-22-14(17(25)23-18)11-7-8-20-16(24)15-12(11)9-13(21-15)10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H,20,24)(H2,19,22,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB
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| Purchase
PC cid
PC sid
PDB
UniChem
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| PDB
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in phenoxybenzamine-treated rat by Pressor assay |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB
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PC cid
PC sid
PDB
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| PDB
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist activity in rat uterus by uterotonic assay |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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