Found 3 hits for monomerid = 50091317 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091317
(CHEMBL3582210)Show SMILES N#CC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C62H114O76P12/c63-15-27-39(123-55-35(71)47(131-143(87,88)89)43(31(19-67)115-55)127-139(75,76)77)51(135-147(99,100)101)59(119-27)111-9-1-5-23-13-25(7-3-11-113-61-53(137-149(105,106)107)41(29(17-65)121-61)125-57-37(73)49(133-145(93,94)95)45(33(21-69)117-57)129-141(81,82)83)26(8-4-12-114-62-54(138-150(108,109)110)42(30(18-66)122-62)126-58-38(74)50(134-146(96,97)98)46(34(22-70)118-58)130-142(84,85)86)14-24(23)6-2-10-112-60-52(136-148(102,103)104)40(28(16-64)120-60)124-56-36(72)48(132-144(90,91)92)44(32(20-68)116-56)128-140(78,79)80/h13-14,27-74H,1-12,15-22H2,(H2,75,76,77)(H2,78,79,80)(H2,81,82,83)(H2,84,85,86)(H2,87,88,89)(H2,90,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)(H2,102,103,104)(H2,105,106,107)(H2,108,109,110)/t27-,28-,29-,30-,31?,32?,33?,34?,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47?,48?,49?,50?,51+,52+,53+,54+,55+,56+,57+,58+,59?,60?,61?,62?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 339 | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CHK1 in human HT29 cells assessed as phosphorylation of histone H3 after 24 hrs by checkpoint abrogation cellular assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50091317
(CHEMBL3582210)Show SMILES N#CC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C62H114O76P12/c63-15-27-39(123-55-35(71)47(131-143(87,88)89)43(31(19-67)115-55)127-139(75,76)77)51(135-147(99,100)101)59(119-27)111-9-1-5-23-13-25(7-3-11-113-61-53(137-149(105,106)107)41(29(17-65)121-61)125-57-37(73)49(133-145(93,94)95)45(33(21-69)117-57)129-141(81,82)83)26(8-4-12-114-62-54(138-150(108,109)110)42(30(18-66)122-62)126-58-38(74)50(134-146(96,97)98)46(34(22-70)118-58)130-142(84,85)86)14-24(23)6-2-10-112-60-52(136-148(102,103)104)40(28(16-64)120-60)124-56-36(72)48(132-144(90,91)92)44(32(20-68)116-56)128-140(78,79)80/h13-14,27-74H,1-12,15-22H2,(H2,75,76,77)(H2,78,79,80)(H2,81,82,83)(H2,84,85,86)(H2,87,88,89)(H2,90,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)(H2,102,103,104)(H2,105,106,107)(H2,108,109,110)/t27-,28-,29-,30-,31?,32?,33?,34?,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47?,48?,49?,50?,51+,52+,53+,54+,55+,56+,57+,58+,59?,60?,61?,62?/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 | 2.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human acetylcholine esterase by horseradish peroxidase-coupled fluorescence assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50091317
(CHEMBL3582210)Show SMILES N#CC1CCN(Cc2ccc(cc2)-c2cnc3[nH]c4cnc(cc4c3c2)C#N)CC1 Show InChI InChI=1S/C62H114O76P12/c63-15-27-39(123-55-35(71)47(131-143(87,88)89)43(31(19-67)115-55)127-139(75,76)77)51(135-147(99,100)101)59(119-27)111-9-1-5-23-13-25(7-3-11-113-61-53(137-149(105,106)107)41(29(17-65)121-61)125-57-37(73)49(133-145(93,94)95)45(33(21-69)117-57)129-141(81,82)83)26(8-4-12-114-62-54(138-150(108,109)110)42(30(18-66)122-62)126-58-38(74)50(134-146(96,97)98)46(34(22-70)118-58)130-142(84,85)86)14-24(23)6-2-10-112-60-52(136-148(102,103)104)40(28(16-64)120-60)124-56-36(72)48(132-144(90,91)92)44(32(20-68)116-56)128-140(78,79)80/h13-14,27-74H,1-12,15-22H2,(H2,75,76,77)(H2,78,79,80)(H2,81,82,83)(H2,84,85,86)(H2,87,88,89)(H2,90,91,92)(H2,93,94,95)(H2,96,97,98)(H2,99,100,101)(H2,102,103,104)(H2,105,106,107)(H2,108,109,110)/t27-,28-,29-,30-,31?,32?,33?,34?,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47?,48?,49?,50?,51+,52+,53+,54+,55+,56+,57+,58+,59?,60?,61?,62?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Argenta Discovery Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Chk1 using biotinylated AKT substrate after 30 mins by Alphascreen biochemical assay |
J Med Chem 58: 5053-74 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00464
BindingDB Entry DOI: 10.7270/Q2HD7XC5 |
More data for this
Ligand-Target Pair | |
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