Found 3 hits for monomerid = 50363992 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 |
|---|
Aurora kinase A
(Homo sapiens (Human)) | BDBM50363992
(CHEMBL1950043)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r,wU:8.8,22.24,36.44,43.48,54.80,75.82,4.3,wD:64.73,58.63,(38.16,-16.42,;38.17,-14.87,;39.66,-14.47,;37.4,-13.53,;35.86,-13.54,;35.08,-12.21,;34.64,-9.81,;33.14,-9.8,;35.09,-8.4,;36.53,-7.83,;37.86,-8.61,;38.02,-10.14,;39.53,-10.46,;40.3,-9.13,;41.78,-8.82,;42.26,-7.37,;41.24,-6.22,;39.74,-6.54,;39.27,-7.99,;33.75,-7.6,;33.76,-6.06,;35.1,-5.31,;32.51,-5.39,;32.57,-3.85,;33.93,-3.12,;35.32,-3.79,;36.4,-2.68,;35.67,-1.31,;36.2,.13,;35.2,1.31,;33.68,1.04,;33.16,-.41,;34.15,-1.58,;31.1,-6.01,;29.77,-5.25,;29.77,-3.71,;28.43,-6,;27,-5.6,;26.16,-6.83,;27.08,-8,;28.48,-7.48,;29.76,-8.35,;31.14,-7.67,;29.75,-9.89,;28.4,-10.64,;27.07,-9.85,;25.72,-10.6,;24.39,-9.81,;23.03,-10.57,;21.71,-9.78,;23.01,-12.11,;31.08,-10.66,;31.07,-12.2,;32.4,-12.99,;29.73,-12.97,;29.72,-14.51,;28.38,-15.27,;27.06,-14.5,;28.38,-16.81,;27.04,-17.58,;29.71,-17.59,;31.04,-16.82,;32.46,-17.56,;33.79,-16.78,;35.12,-17.56,;35.88,-16.22,;35.1,-14.89,;33.56,-14.91,;35.89,-18.89,;37.43,-18.89,;35.12,-20.22,;35.89,-21.55,;35.13,-22.88,;35.89,-24.23,;33.59,-22.88,;28.39,-12.19,;27.05,-12.96,;27.29,-11.09,)| Show InChI InChI=1S/C51H71N15O10S2/c1-26(2)18-36-45(71)64-39(44(70)59-23-41(53)68)25-78-77-24-32(52)43(69)65-42(27(3)67)49(75)60-35(14-8-16-56-51(54)55)50(76)66-17-9-15-40(66)48(74)63-38(20-29-22-58-34-13-7-5-11-31(29)34)47(73)62-37(46(72)61-36)19-28-21-57-33-12-6-4-10-30(28)33/h4-7,10-13,21-22,26-27,32,35-40,42,57-58,67H,8-9,14-20,23-25,52H2,1-3H3,(H2,53,68)(H,59,70)(H,60,75)(H,61,72)(H,62,73)(H,63,74)(H,64,71)(H,65,69)(H4,54,55,56)/t27-,32+,35+,36+,37+,38+,39+,40+,42+/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
| 2.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Mixed type inhibition of human aurora A using kemptide as a substrate by double reciprocal plot analysis |
Bioorg Med Chem 19: 6743-9 (2011)
Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50363992
(CHEMBL1950043)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r,wU:8.8,22.24,36.44,43.48,54.80,75.82,4.3,wD:64.73,58.63,(38.16,-16.42,;38.17,-14.87,;39.66,-14.47,;37.4,-13.53,;35.86,-13.54,;35.08,-12.21,;34.64,-9.81,;33.14,-9.8,;35.09,-8.4,;36.53,-7.83,;37.86,-8.61,;38.02,-10.14,;39.53,-10.46,;40.3,-9.13,;41.78,-8.82,;42.26,-7.37,;41.24,-6.22,;39.74,-6.54,;39.27,-7.99,;33.75,-7.6,;33.76,-6.06,;35.1,-5.31,;32.51,-5.39,;32.57,-3.85,;33.93,-3.12,;35.32,-3.79,;36.4,-2.68,;35.67,-1.31,;36.2,.13,;35.2,1.31,;33.68,1.04,;33.16,-.41,;34.15,-1.58,;31.1,-6.01,;29.77,-5.25,;29.77,-3.71,;28.43,-6,;27,-5.6,;26.16,-6.83,;27.08,-8,;28.48,-7.48,;29.76,-8.35,;31.14,-7.67,;29.75,-9.89,;28.4,-10.64,;27.07,-9.85,;25.72,-10.6,;24.39,-9.81,;23.03,-10.57,;21.71,-9.78,;23.01,-12.11,;31.08,-10.66,;31.07,-12.2,;32.4,-12.99,;29.73,-12.97,;29.72,-14.51,;28.38,-15.27,;27.06,-14.5,;28.38,-16.81,;27.04,-17.58,;29.71,-17.59,;31.04,-16.82,;32.46,-17.56,;33.79,-16.78,;35.12,-17.56,;35.88,-16.22,;35.1,-14.89,;33.56,-14.91,;35.89,-18.89,;37.43,-18.89,;35.12,-20.22,;35.89,-21.55,;35.13,-22.88,;35.89,-24.23,;33.59,-22.88,;28.39,-12.19,;27.05,-12.96,;27.29,-11.09,)| Show InChI InChI=1S/C51H71N15O10S2/c1-26(2)18-36-45(71)64-39(44(70)59-23-41(53)68)25-78-77-24-32(52)43(69)65-42(27(3)67)49(75)60-35(14-8-16-56-51(54)55)50(76)66-17-9-15-40(66)48(74)63-38(20-29-22-58-34-13-7-5-11-31(29)34)47(73)62-37(46(72)61-36)19-28-21-57-33-12-6-4-10-30(28)33/h4-7,10-13,21-22,26-27,32,35-40,42,57-58,67H,8-9,14-20,23-25,52H2,1-3H3,(H2,53,68)(H,59,70)(H,60,75)(H,61,72)(H,62,73)(H,63,74)(H,64,71)(H,65,69)(H4,54,55,56)/t27-,32+,35+,36+,37+,38+,39+,40+,42+/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
| 3.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human aurora-A using kemptide as a substrate by double reciprocal plot analysis |
Bioorg Med Chem 19: 6743-9 (2011)
Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50363992
(CHEMBL1950043)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC1=O)C(=O)NCC(N)=O)[C@@H](C)O |r,wU:8.8,22.24,36.44,43.48,54.80,75.82,4.3,wD:64.73,58.63,(38.16,-16.42,;38.17,-14.87,;39.66,-14.47,;37.4,-13.53,;35.86,-13.54,;35.08,-12.21,;34.64,-9.81,;33.14,-9.8,;35.09,-8.4,;36.53,-7.83,;37.86,-8.61,;38.02,-10.14,;39.53,-10.46,;40.3,-9.13,;41.78,-8.82,;42.26,-7.37,;41.24,-6.22,;39.74,-6.54,;39.27,-7.99,;33.75,-7.6,;33.76,-6.06,;35.1,-5.31,;32.51,-5.39,;32.57,-3.85,;33.93,-3.12,;35.32,-3.79,;36.4,-2.68,;35.67,-1.31,;36.2,.13,;35.2,1.31,;33.68,1.04,;33.16,-.41,;34.15,-1.58,;31.1,-6.01,;29.77,-5.25,;29.77,-3.71,;28.43,-6,;27,-5.6,;26.16,-6.83,;27.08,-8,;28.48,-7.48,;29.76,-8.35,;31.14,-7.67,;29.75,-9.89,;28.4,-10.64,;27.07,-9.85,;25.72,-10.6,;24.39,-9.81,;23.03,-10.57,;21.71,-9.78,;23.01,-12.11,;31.08,-10.66,;31.07,-12.2,;32.4,-12.99,;29.73,-12.97,;29.72,-14.51,;28.38,-15.27,;27.06,-14.5,;28.38,-16.81,;27.04,-17.58,;29.71,-17.59,;31.04,-16.82,;32.46,-17.56,;33.79,-16.78,;35.12,-17.56,;35.88,-16.22,;35.1,-14.89,;33.56,-14.91,;35.89,-18.89,;37.43,-18.89,;35.12,-20.22,;35.89,-21.55,;35.13,-22.88,;35.89,-24.23,;33.59,-22.88,;28.39,-12.19,;27.05,-12.96,;27.29,-11.09,)| Show InChI InChI=1S/C51H71N15O10S2/c1-26(2)18-36-45(71)64-39(44(70)59-23-41(53)68)25-78-77-24-32(52)43(69)65-42(27(3)67)49(75)60-35(14-8-16-56-51(54)55)50(76)66-17-9-15-40(66)48(74)63-38(20-29-22-58-34-13-7-5-11-31(29)34)47(73)62-37(46(72)61-36)19-28-21-57-33-12-6-4-10-30(28)33/h4-7,10-13,21-22,26-27,32,35-40,42,57-58,67H,8-9,14-20,23-25,52H2,1-3H3,(H2,53,68)(H,59,70)(H,60,75)(H,61,72)(H,62,73)(H,63,74)(H,64,71)(H,65,69)(H4,54,55,56)/t27-,32+,35+,36+,37+,38+,39+,40+,42+/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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Inhibition of human Aurora A assessed as inhibition of [gamma-33P]ATP incorporation into substrate after 1 hr by liquid scintillation counting |
Bioorg Med Chem 19: 6743-9 (2011)
Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG |
More data for this
Ligand-Target Pair | |
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