Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50048849 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 |
|---|
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50228843
(CHEMBL436718)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)CCNCCNS(=O)(=O)c1cccc2cnccc12)C(O)=O Show InChI InChI=1S/C53H94N28O12S/c54-48(55)68-18-2-9-32(41(84)77-34(11-4-20-70-50(58)59)43(86)79-36(13-6-22-72-52(62)63)45(88)81-37(47(90)91)14-7-23-73-53(64)65)76-42(85)33(10-3-19-69-49(56)57)78-44(87)35(12-5-21-71-51(60)61)80-46(89)38(29-82)75-40(83)17-25-66-26-27-74-94(92,93)39-15-1-8-30-28-67-24-16-31(30)39/h1,8,15-16,24,28,32-38,66,74,82H,2-7,9-14,17-23,25-27,29H2,(H,75,83)(H,76,85)(H,77,84)(H,78,87)(H,79,86)(H,80,89)(H,81,88)(H,90,91)(H4,54,55,68)(H4,56,57,69)(H4,58,59,70)(H4,60,61,71)(H4,62,63,72)(H4,64,65,73)/t32-,33-,34-,35-,36-,37-,38-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
URA CNRS 1309
Curated by ChEMBL
| Assay Description
Displacement of ATP from protein kinase A (PKA) |
J Med Chem 34: 73-8 (1991)
BindingDB Entry DOI: 10.7270/Q2J38VS9 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50228839
(CHEMBL415414)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C54H94N28O13S/c1-28(74-41(85)29(2)82-96(94,95)39-17-3-10-30-26-67-25-18-31(30)39)40(84)81-38(27-83)47(91)79-35(14-7-22-71-52(61)62)45(89)77-33(12-5-20-69-50(57)58)43(87)75-32(11-4-19-68-49(55)56)42(86)76-34(13-6-21-70-51(59)60)44(88)78-36(15-8-23-72-53(63)64)46(90)80-37(48(92)93)16-9-24-73-54(65)66/h3,10,17-18,25-26,28-29,32-38,82-83H,4-9,11-16,19-24,27H2,1-2H3,(H,74,85)(H,75,87)(H,76,86)(H,77,89)(H,78,88)(H,79,91)(H,80,90)(H,81,84)(H,92,93)(H4,55,56,68)(H4,57,58,69)(H4,59,60,70)(H4,61,62,71)(H4,63,64,72)(H4,65,66,73)/t28-,29-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
URA CNRS 1309
Curated by ChEMBL
| Assay Description
Displacement of ATP from protein kinase A (PKA) |
J Med Chem 34: 73-8 (1991)
BindingDB Entry DOI: 10.7270/Q2J38VS9 |
More data for this
Ligand-Target Pair | |
cAMP-dependent protein kinase catalytic subunit gamma
(Homo sapiens (Human)) | BDBM50216682
(1-(5-Isoquinolinesulfonyl)-2-methylpiperazine | 1-...)Show InChI InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3 | KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
URA CNRS 1309
Curated by ChEMBL
| Assay Description
Displacement of ATP from protein kinase A (PKA) |
J Med Chem 34: 73-8 (1991)
BindingDB Entry DOI: 10.7270/Q2J38VS9 |
More data for this
Ligand-Target Pair | |
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