Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase haspin [470-798]' and Ligand = 'BDBM224011' 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 haspin [470-798]
(Homo sapiens (Human)) | BDBM224011
(ARC-3380)Show SMILES CCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(C)O)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:97.107,42.49,29.29,74.73,76.81,117.119,wD:53.96,108.112,33.38,24.24,20.20,62.62,77.77,79.80,(21.25,-5.69,;22.58,-4.92,;23.92,-5.69,;25.25,-4.92,;26.59,-5.69,;27.92,-4.92,;29.25,-5.69,;30.59,-4.92,;31.92,-5.69,;33.25,-4.92,;34.59,-5.69,;34.59,-7.23,;35.92,-8,;35.92,-9.54,;34.59,-10.31,;37.25,-10.31,;37.25,-11.85,;38.59,-12.62,;38.59,-14.16,;39.92,-14.93,;39.92,-16.47,;38.59,-17.24,;37.25,-16.47,;37.25,-14.93,;35.92,-17.24,;35.92,-18.78,;34.59,-16.47,;33.25,-17.24,;33.25,-18.78,;31.92,-16.47,;30.59,-17.24,;29.25,-16.47,;29.25,-14.93,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;26.59,-16.47,;25.25,-17.24,;25.25,-18.78,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;22.58,-17.24,;21.25,-16.47,;21.25,-14.93,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;18.58,-16.47,;17.25,-17.24,;17.25,-18.78,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;14.58,-17.24,;13.25,-16.47,;13.25,-14.93,;11.91,-17.24,;11.91,-18.78,;10.58,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;41.26,-17.24,;41.26,-18.78,;42.59,-16.47,;43.92,-17.24,;43.92,-18.78,;42.59,-19.55,;42.59,-21.09,;41.26,-21.86,;41.26,-23.4,;39.92,-24.17,;38.59,-23.4,;39.92,-25.71,;38.59,-26.48,;38.59,-28.02,;39.92,-28.79,;41.26,-28.02,;41.26,-26.48,;42.74,-28.42,;43.14,-29.91,;43.83,-27.33,;39.92,-30.33,;38.59,-31.1,;37.25,-30.33,;35.92,-31.1,;35.92,-32.64,;37.25,-33.41,;38.59,-32.64,;39.92,-33.41,;41.26,-32.64,;42.59,-33.41,;43.92,-32.64,;43.92,-31.1,;42.59,-30.33,;41.26,-31.1,;45.26,-33.41,;46.59,-32.64,;45.26,-34.95,;34.59,-33.41,;33.25,-32.64,;34.59,-34.95,;45.26,-16.47,;46.59,-17.24,;45.26,-14.93,)| Show InChI InChI=1S/C105H160N28O24/c1-9-10-11-12-13-14-15-16-17-18-20-36-80(136)114-47-26-23-32-71(94(145)124-70(89(109)141)31-22-28-50-116-93(144)62-38-41-65(69(54-62)102(152)153)83-66-42-39-63(131(5)6)55-77(66)156-78-56-64(132(7)8)40-43-67(78)83)126-92(143)60(3)122-99(150)84(61(4)134)130-98(149)75(44-45-79(107)135)129-97(148)74(35-30-52-119-105(112)113)128-95(146)72(127-96(147)73(125-91(142)59(2)106)34-29-51-118-104(110)111)33-24-27-48-115-82(138)57-76(103(154)155)123-81(137)37-21-19-25-49-117-100(151)87-85(139)86(140)101(157-87)133-53-46-68-88(108)120-58-121-90(68)133/h38-43,46,53-56,58-61,70-76,84-87,101,134,139-140H,9-37,44-45,47-52,57,106H2,1-8H3,(H28-,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,135,136,137,138,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155)/p+3/t59-,60-,61?,70+,71+,72-,73-,74-,75-,76+,84-,85-,86+,87-,101+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 14.9 | n/a | n/a | n/a | 7.5 | n/a |
University of Tartu
| Assay Description
Association kinetics (Kon): All measurements were performed in HEPES (50 mM, pH 7.5) containing NaCl (150 mM), Tween-20 (0.005%) and DTT (5 mM) accor... |
Chembiochem 18: 790-798 (2017)
Article DOI: 10.1002/cbic.201600697
BindingDB Entry DOI: 10.7270/Q28914QN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin [470-798]
(Homo sapiens (Human)) | BDBM224011
(ARC-3380)Show SMILES CCCCCCCCCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCCNC(=O)C[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C([O-])=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)[NH3+])C(C)O)C(=O)N[C@H](CCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C)C(N)=O |r,wU:97.107,42.49,29.29,74.73,76.81,117.119,wD:53.96,108.112,33.38,24.24,20.20,62.62,77.77,79.80,(21.25,-5.69,;22.58,-4.92,;23.92,-5.69,;25.25,-4.92,;26.59,-5.69,;27.92,-4.92,;29.25,-5.69,;30.59,-4.92,;31.92,-5.69,;33.25,-4.92,;34.59,-5.69,;34.59,-7.23,;35.92,-8,;35.92,-9.54,;34.59,-10.31,;37.25,-10.31,;37.25,-11.85,;38.59,-12.62,;38.59,-14.16,;39.92,-14.93,;39.92,-16.47,;38.59,-17.24,;37.25,-16.47,;37.25,-14.93,;35.92,-17.24,;35.92,-18.78,;34.59,-16.47,;33.25,-17.24,;33.25,-18.78,;31.92,-16.47,;30.59,-17.24,;29.25,-16.47,;29.25,-14.93,;27.92,-17.24,;27.92,-18.78,;26.59,-19.55,;26.59,-21.09,;27.92,-21.86,;25.25,-21.86,;26.59,-16.47,;25.25,-17.24,;25.25,-18.78,;23.92,-16.47,;23.92,-14.93,;22.58,-14.16,;22.58,-12.62,;21.25,-11.85,;21.25,-10.31,;22.58,-9.54,;19.92,-9.54,;22.58,-17.24,;21.25,-16.47,;21.25,-14.93,;19.92,-17.24,;19.92,-18.78,;18.58,-19.55,;18.58,-21.09,;17.25,-21.86,;17.25,-23.4,;15.92,-24.17,;14.58,-23.4,;15.92,-25.71,;14.58,-26.48,;13.25,-25.71,;11.91,-26.48,;11.91,-28.02,;10.58,-25.71,;9.25,-26.48,;7.91,-25.71,;6.58,-26.48,;5.25,-25.71,;3.91,-26.48,;3.91,-33.15,;2.58,-33.92,;5.25,-33.92,;6.54,-33.08,;7.73,-34.05,;7.18,-35.49,;8.02,-36.78,;5.64,-35.41,;4.68,-36.61,;9.22,-33.66,;9.77,-32.22,;11.31,-32.3,;11.71,-33.79,;13.08,-34.48,;14.37,-33.65,;13.16,-36.02,;11.87,-36.86,;10.5,-36.16,;10.42,-34.62,;14.58,-28.02,;15.92,-28.79,;13.25,-28.79,;18.58,-16.47,;17.25,-17.24,;17.25,-18.78,;15.92,-16.47,;15.92,-14.93,;14.58,-14.16,;14.58,-12.62,;13.25,-11.85,;13.25,-10.31,;14.58,-9.54,;11.91,-9.54,;14.58,-17.24,;13.25,-16.47,;13.25,-14.93,;11.91,-17.24,;11.91,-18.78,;10.58,-16.47,;31.92,-14.93,;30.59,-14.16,;33.25,-14.16,;41.26,-17.24,;41.26,-18.78,;42.59,-16.47,;43.92,-17.24,;43.92,-18.78,;42.59,-19.55,;42.59,-21.09,;41.26,-21.86,;41.26,-23.4,;39.92,-24.17,;38.59,-23.4,;39.92,-25.71,;38.59,-26.48,;38.59,-28.02,;39.92,-28.79,;41.26,-28.02,;41.26,-26.48,;42.74,-28.42,;43.14,-29.91,;43.83,-27.33,;39.92,-30.33,;38.59,-31.1,;37.25,-30.33,;35.92,-31.1,;35.92,-32.64,;37.25,-33.41,;38.59,-32.64,;39.92,-33.41,;41.26,-32.64,;42.59,-33.41,;43.92,-32.64,;43.92,-31.1,;42.59,-30.33,;41.26,-31.1,;45.26,-33.41,;46.59,-32.64,;45.26,-34.95,;34.59,-33.41,;33.25,-32.64,;34.59,-34.95,;45.26,-16.47,;46.59,-17.24,;45.26,-14.93,)| Show InChI InChI=1S/C105H160N28O24/c1-9-10-11-12-13-14-15-16-17-18-20-36-80(136)114-47-26-23-32-71(94(145)124-70(89(109)141)31-22-28-50-116-93(144)62-38-41-65(69(54-62)102(152)153)83-66-42-39-63(131(5)6)55-77(66)156-78-56-64(132(7)8)40-43-67(78)83)126-92(143)60(3)122-99(150)84(61(4)134)130-98(149)75(44-45-79(107)135)129-97(148)74(35-30-52-119-105(112)113)128-95(146)72(127-96(147)73(125-91(142)59(2)106)34-29-51-118-104(110)111)33-24-27-48-115-82(138)57-76(103(154)155)123-81(137)37-21-19-25-49-117-100(151)87-85(139)86(140)101(157-87)133-53-46-68-88(108)120-58-121-90(68)133/h38-43,46,53-56,58-61,70-76,84-87,101,134,139-140H,9-37,44-45,47-52,57,106H2,1-8H3,(H28-,107,108,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,135,136,137,138,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155)/p+3/t59-,60-,61?,70+,71+,72-,73-,74-,75-,76+,84-,85-,86+,87-,101+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.40 | n/a | n/a | n/a | 7.5 | n/a |
University of Tartu
| Assay Description
All measurements were performed in HEPES (50 mm, pH 7.5) containing NaCl (150 mm), Tween-20 (0.005%) and DTT (5 mm) according to a previously publish... |
Chembiochem 18: 790-798 (2017)
Article DOI: 10.1002/cbic.201600697
BindingDB Entry DOI: 10.7270/Q28914QN |
More data for this
Ligand-Target Pair | |
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