Found 7 hits of Enzyme Inhibition Constant Data 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 |
|---|
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428496
(CHEMBL2335204)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)c1cc(n[nH]1)-c1sc(NC(=O)c2ccccc2)nc1C)C(O)=O |r| Show InChI InChI=1S/C39H43N9O9S/c1-5-19(2)31(38(56)57)45-36(54)28(17-30(49)50)44-35(53)27(15-23-18-40-25-14-10-9-13-24(23)25)43-33(51)21(4)41-37(55)29-16-26(47-48-29)32-20(3)42-39(58-32)46-34(52)22-11-7-6-8-12-22/h6-14,16,18-19,21,27-28,31,40H,5,15,17H2,1-4H3,(H,41,55)(H,43,51)(H,44,53)(H,45,54)(H,47,48)(H,49,50)(H,56,57)(H,42,46,52)/t19-,21-,27-,28+,31-/m0/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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428495
(CHEMBL2335207)Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,58.60,wD:50.52,(34.05,-39.55,;32.52,-39.39,;31.5,-40.53,;30.1,-39.91,;28.77,-40.68,;27.44,-39.91,;27.44,-38.38,;26.11,-40.68,;24.79,-39.91,;23.46,-40.68,;23.46,-42.21,;24.8,-42.98,;26.12,-42.21,;30.26,-38.39,;31.75,-38.07,;32.38,-36.66,;33.88,-36.34,;34.03,-34.81,;32.63,-34.2,;31.61,-35.34,;35.36,-34.05,;35.35,-32.51,;36.68,-34.81,;38.02,-34.04,;39.35,-34.81,;39.35,-36.35,;40.69,-34.04,;42.02,-34.81,;42.02,-36.35,;43.36,-37.12,;43.36,-38.66,;44.7,-39.43,;44.7,-40.98,;43.36,-41.75,;46.03,-41.75,;43.36,-34.04,;43.36,-32.5,;44.7,-34.81,;46.03,-34.04,;47.37,-34.81,;47.37,-36.35,;48.7,-34.04,;50.04,-34.81,;50.04,-36.35,;51.37,-37.12,;52.71,-36.35,;51.37,-38.66,;51.37,-34.04,;51.37,-32.5,;52.71,-34.81,;54.04,-34.04,;54.04,-32.5,;55.38,-31.72,;56.71,-32.5,;55.38,-30.18,;55.38,-34.81,;55.38,-36.35,;56.71,-34.04,;58.05,-34.81,;58.05,-36.35,;59.38,-37.12,;60.72,-36.35,;59.38,-38.66,;59.38,-34.04,;60.72,-34.81,;59.38,-32.5,)| Show InChI InChI=1S/C37H45N13O15S/c1-16-29(66-37(43-16)48-30(59)17-6-3-2-4-7-17)19-10-22(50-49-19)32(61)42-14-24(51)44-18(8-5-9-40-36(38)39)31(60)41-15-25(52)45-20(11-26(53)54)33(62)46-21(12-27(55)56)34(63)47-23(35(64)65)13-28(57)58/h2-4,6-7,10,18,20-21,23H,5,8-9,11-15H2,1H3,(H,41,60)(H,42,61)(H,44,51)(H,45,52)(H,46,62)(H,47,63)(H,49,50)(H,53,54)(H,55,56)(H,57,58)(H,64,65)(H4,38,39,40)(H,43,48,59)/t18-,20-,21-,23-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428497
(CHEMBL2335203)Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccc2nn-3c(-[#8]-[#6]-c4cc(Cl)ccc-34)c2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O |r| Show InChI InChI=1S/C52H62ClN15O11/c1-27(43(71)66-40(50(77)78)22-29-11-15-33(69)16-12-29)61-45(73)36(9-5-19-59-51(55)56)62-48(76)39(25-42(54)70)65-46(74)37(10-6-20-60-52(57)58)63-47(75)38(21-28-7-3-2-4-8-28)64-44(72)30-13-17-35-34(24-30)49-68(67-35)41-18-14-32(53)23-31(41)26-79-49/h2-4,7-8,11-18,23-24,27,36-40,69H,5-6,9-10,19-22,25-26H2,1H3,(H2,54,70)(H,61,73)(H,62,76)(H,63,75)(H,64,72)(H,65,74)(H,66,71)(H,77,78)(H4,55,56,59)(H4,57,58,60)/t27-,36+,37+,38+,39+,40-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428491
(CHEMBL2335198)Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](CC(O)=O)C(O)=O |r,wU:27.29,42.44,(6.91,-18.61,;5.37,-18.45,;4.35,-19.6,;2.94,-18.97,;1.61,-19.74,;.27,-18.97,;.27,-17.43,;-1.07,-19.74,;-2.4,-18.97,;-3.73,-19.74,;-3.73,-21.28,;-2.38,-22.05,;-1.06,-21.28,;3.1,-17.43,;4.61,-17.11,;5.23,-15.7,;6.73,-15.38,;6.89,-13.85,;5.49,-13.23,;4.46,-14.37,;8.22,-13.08,;8.22,-11.54,;9.56,-13.85,;10.89,-13.07,;12.22,-13.85,;12.22,-15.39,;13.56,-13.07,;14.89,-13.85,;14.89,-15.39,;16.23,-16.15,;16.23,-17.69,;17.57,-18.47,;17.57,-20.01,;16.23,-20.78,;18.9,-20.78,;16.23,-13.07,;16.23,-11.53,;17.57,-13.85,;18.9,-13.07,;20.24,-13.85,;20.24,-15.39,;21.57,-13.07,;22.91,-13.85,;22.91,-15.39,;24.24,-16.15,;25.57,-15.39,;24.24,-17.69,;24.24,-13.07,;25.56,-13.84,;24.24,-11.53,)| Show InChI InChI=1S/C29H35N11O9S/c1-14-23(50-29(35-14)38-24(45)15-6-3-2-4-7-15)17-10-18(40-39-17)26(47)34-12-20(41)36-16(8-5-9-32-28(30)31)25(46)33-13-21(42)37-19(27(48)49)11-22(43)44/h2-4,6-7,10,16,19H,5,8-9,11-13H2,1H3,(H,33,46)(H,34,47)(H,36,41)(H,37,42)(H,39,40)(H,43,44)(H,48,49)(H4,30,31,32)(H,35,38,45)/t16-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428492
(CHEMBL2335197)Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(O)=O |r,wU:27.29,(52.25,-6.63,;50.72,-6.48,;49.69,-7.62,;48.28,-6.99,;46.95,-7.77,;45.61,-7,;45.61,-5.46,;44.28,-7.77,;42.95,-6.99,;41.61,-7.77,;41.61,-9.31,;42.96,-10.07,;44.29,-9.3,;48.44,-5.46,;49.95,-5.14,;50.57,-3.73,;52.08,-3.41,;52.23,-1.87,;50.83,-1.26,;49.8,-2.4,;53.56,-1.11,;53.56,.43,;54.9,-1.87,;56.24,-1.1,;57.57,-1.87,;57.57,-3.41,;58.9,-1.1,;60.23,-1.87,;60.23,-3.41,;61.57,-4.18,;61.57,-5.72,;62.91,-6.49,;62.91,-8.03,;61.57,-8.81,;64.24,-8.81,;61.57,-1.1,;61.57,.44,;62.91,-1.87,;64.24,-1.1,;65.58,-1.87,;66.91,-1.1,;65.58,-3.41,)| Show InChI InChI=1S/C25H30N10O6S/c1-13-20(42-25(31-13)33-21(39)14-6-3-2-4-7-14)16-10-17(35-34-16)23(41)29-11-18(36)32-15(8-5-9-28-24(26)27)22(40)30-12-19(37)38/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,29,41)(H,30,40)(H,32,36)(H,34,35)(H,37,38)(H4,26,27,28)(H,31,33,39)/t15-/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 | 2.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428494
(CHEMBL2335195)Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(O)=O Show InChI InChI=1S/C17H15N5O4S/c1-9-14(11-7-12(22-21-11)16(26)18-8-13(23)24)27-17(19-9)20-15(25)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,18,26)(H,21,22)(H,23,24)(H,19,20,25) | 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 | 2.41E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
Phospholipase A2, membrane associated
(Homo sapiens (Human)) | BDBM50428493
(CHEMBL2335196)Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1-c1cc([nH]n1)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(O)=O |r,wU:27.29,(25.94,-7.7,;24.4,-7.54,;23.38,-8.69,;21.97,-8.06,;20.64,-8.84,;19.3,-8.06,;19.3,-6.52,;17.97,-8.84,;16.63,-8.06,;15.3,-8.83,;15.3,-10.38,;16.65,-11.14,;17.97,-10.37,;22.13,-6.53,;23.64,-6.21,;24.26,-4.8,;25.76,-4.48,;25.92,-2.94,;24.51,-2.33,;23.49,-3.47,;27.25,-2.18,;27.25,-.64,;28.59,-2.94,;29.92,-2.17,;31.25,-2.94,;31.25,-4.48,;32.59,-2.17,;33.92,-2.94,;33.92,-4.48,;35.26,-5.25,;35.26,-6.79,;36.6,-7.56,;36.6,-9.1,;35.26,-9.87,;37.93,-9.87,;35.26,-2.17,;36.6,-2.94,;35.26,-.63,)| Show InChI InChI=1S/C23H27N9O5S/c1-12-18(38-23(28-12)30-19(34)13-6-3-2-4-7-13)15-10-16(32-31-15)20(35)27-11-17(33)29-14(21(36)37)8-5-9-26-22(24)25/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,27,35)(H,29,33)(H,31,32)(H,36,37)(H4,24,25,26)(H,28,30,34)/t14-/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 | 2.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description
Inhibition of sPLA2-IIA (unknown origin)-integrin alphaVbeta3 interaction in human K562 cells pretreated for 30 mins to immobilized sPLA2 before addi... |
Bioorg Med Chem Lett 23: 340-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.080
BindingDB Entry DOI: 10.7270/Q279460W |
More data for this
Ligand-Target Pair | |
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