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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'trent' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Casein Kinase II


(Homo sapiens (human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha at enzyme-substrate complex by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150160
PNG
(CHEMBL338481 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCC(C)C
Show InChI InChI=1S/C33H47N3O10/c1-17(2)16-45-33(42)36-27-22-12-18(3)13-26(44-8)28(38)20(5)14-21(6)30(46-32(34)41)25(43-7)11-9-10-19(4)31(40)35-23(29(22)39)15-24(27)37/h9-12,14-15,17,20,25-26,28,30,37-39H,13,16H2,1-8H3,(H2,34,41)(H,35,40)(H,36,42)/b11-9?,18-12?,19-10?,21-14+/t20-,25-,26-,28+,30-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150180
PNG
(CHEMBL339123 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C46H56ClN5O9/c1-27-22-35-40(50-45(57)32-12-10-31(11-13-32)26-51-18-20-52(21-19-51)34-16-14-33(47)15-17-34)37(53)25-36(42(35)55)49-44(56)28(2)8-7-9-38(59-5)43(61-46(48)58)30(4)24-29(3)41(54)39(23-27)60-6/h7-17,22,24-25,29,38-39,41,43,53-55H,18-21,23,26H2,1-6H3,(H2,48,58)(H,49,56)(H,50,57)/b9-7?,27-22?,28-8?,30-24+/t29-,38-,39-,41+,43-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150159
PNG
(CHEMBL127176 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCCCCN1CCOCC1
Show InChI InChI=1S/C37H54N4O11/c1-22-18-26-31(40-37(47)51-15-8-7-12-41-13-16-50-17-14-41)28(42)21-27(33(26)44)39-35(45)23(2)10-9-11-29(48-5)34(52-36(38)46)25(4)20-24(3)32(43)30(19-22)49-6/h9-11,18,20-21,24,29-30,32,34,42-44H,7-8,12-17,19H2,1-6H3,(H2,38,46)(H,39,45)(H,40,47)/b11-9?,22-18?,23-10?,25-20+/t24-,29-,30-,32+,34-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335639
PNG
(7-((1H-tetrazol-5-yl)methyl)indolo[1,2-a]quinazoli...)
Show SMILES O=c1[nH]c2c(Cc3nnn[nH]3)c3ccccc3n2c2ccccc12
Show InChI InChI=1S/C17H12N6O/c24-17-11-6-2-4-8-14(11)23-13-7-3-1-5-10(13)12(16(23)18-17)9-15-19-21-22-20-15/h1-8H,9H2,(H,18,24)(H,19,20,21,22)
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n/an/a 12n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 at 1 uM by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150162
PNG
(CHEMBL127088 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C46H63N5O9/c1-28-23-35-40(49-45(56)33-17-15-32(16-18-33)27-50-19-21-51(22-20-50)34-12-8-7-9-13-34)37(52)26-36(42(35)54)48-44(55)29(2)11-10-14-38(58-5)43(60-46(47)57)31(4)25-30(3)41(53)39(24-28)59-6/h10-11,14-18,23,25-26,30,34,38-39,41,43,52-54H,7-9,12-13,19-22,24,27H2,1-6H3,(H2,47,57)(H,48,55)(H,49,56)/b14-10?,28-23?,29-11?,31-25+/t30-,38-,39-,41+,43-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150161
PNG
(CHEMBL341346 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC
Show InChI InChI=1S/C45H56N4O9/c1-8-49(25-31-14-10-9-11-15-31)26-32-17-19-33(20-18-32)44(54)48-39-34-21-27(2)22-38(57-7)40(51)29(4)23-30(5)42(58-45(46)55)37(56-6)16-12-13-28(3)43(53)47-35(41(34)52)24-36(39)50/h9-21,23-24,29,37-38,40,42,50-52H,8,22,25-26H2,1-7H3,(H2,46,55)(H,47,53)(H,48,54)/b16-12?,27-21?,28-13?,30-23+/t29-,37-,38-,40+,42-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150184
PNG
(CHEMBL332352 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C38H50N4O9/c1-21-16-27-32(41-37(47)26-14-12-25(13-15-26)20-42(5)6)29(43)19-28(34(27)45)40-36(46)22(2)10-9-11-30(49-7)35(51-38(39)48)24(4)18-23(3)33(44)31(17-21)50-8/h9-16,18-19,23,30-31,33,35,43-45H,17,20H2,1-8H3,(H2,39,48)(H,40,46)(H,41,47)/b11-9?,21-16?,22-10?,24-18+/t23-,30-,31-,33+,35-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens)
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 17n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
IKK epsilon/TBK1


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 35n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TBK1 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150164
PNG
(CHEMBL436584 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1cccs1
Show InChI InChI=1S/C33H41N3O9S/c1-17-13-21-27(36-32(41)26-11-8-12-46-26)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(45-33(34)42)20(4)15-19(3)28(38)25(14-17)44-6/h7-13,15-16,19,24-25,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 41n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CLK3 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 3


(Homo sapiens)
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 45n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HIPK3 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 46n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PIM1 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150179
PNG
(Acetic acid 4-((4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCc1ccc(OC(C)=O)cc1
Show InChI InChI=1S/C38H47N3O12/c1-20-15-27-32(41-38(48)51-19-25-11-13-26(14-12-25)52-24(5)42)29(43)18-28(34(27)45)40-36(46)21(2)9-8-10-30(49-6)35(53-37(39)47)23(4)17-22(3)33(44)31(16-20)50-7/h8-15,17-18,22,30-31,33,35,43-45H,16,19H2,1-7H3,(H2,39,47)(H,40,46)(H,41,48)/b10-8?,20-15?,21-9?,23-17+/t22-,30-,31-,33+,35-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150163
PNG
(CHEMBL434051 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2-c1cccs1
Show InChI InChI=1S/C32H40N2O8S/c1-17-13-21-27(26-11-8-12-43-26)23(35)16-22(29(21)37)34-31(38)18(2)9-7-10-24(40-5)30(42-32(33)39)20(4)15-19(3)28(36)25(14-17)41-6/h7-13,15-16,19,24-25,28,30,35-37H,14H2,1-6H3,(H2,33,39)(H,34,38)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 55n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3 by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens-Homo sapiens (human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 56n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK1/Cyclin B by radiometric assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335641
PNG
(4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxam...)
Show SMILES NC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H8N2O2S/c13-11(15)6-1-2-7-9(5-6)14-12(16)8-3-4-17-10(7)8/h1-5H,(H2,13,15)(H,14,16)
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n/an/a 60n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150168
PNG
(CHEMBL126784 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2-c1ccccc1
Show InChI InChI=1S/C34H42N2O8/c1-19-15-24-29(23-12-8-7-9-13-23)26(37)18-25(31(24)39)36-33(40)20(2)11-10-14-27(42-5)32(44-34(35)41)22(4)17-21(3)30(38)28(16-19)43-6/h7-15,17-18,21,27-28,30,32,37-39H,16H2,1-6H3,(H2,35,41)(H,36,40)/b14-10?,19-15?,20-11?,22-17+/t21-,27-,28-,30+,32-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150157
PNG
(CHEMBL436002 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C41H55N5O9/c1-24-19-30-35(44-40(51)29-13-11-28(12-14-29)23-46-17-15-45(5)16-18-46)32(47)22-31(37(30)49)43-39(50)25(2)9-8-10-33(53-6)38(55-41(42)52)27(4)21-26(3)36(48)34(20-24)54-7/h8-14,19,21-22,26,33-34,36,38,47-49H,15-18,20,23H2,1-7H3,(H2,42,52)(H,43,50)(H,44,51)/b10-8?,24-19?,25-9?,27-21+/t26-,33-,34-,36+,38-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration of test compound required for half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150160
PNG
(CHEMBL338481 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCC(C)C
Show InChI InChI=1S/C33H47N3O10/c1-17(2)16-45-33(42)36-27-22-12-18(3)13-26(44-8)28(38)20(5)14-21(6)30(46-32(34)41)25(43-7)11-9-10-19(4)31(40)35-23(29(22)39)15-24(27)37/h9-12,14-15,17,20,25-26,28,30,37-39H,13,16H2,1-8H3,(H2,34,41)(H,35,40)(H,36,42)/b11-9?,18-12?,19-10?,21-14+/t20-,25-,26-,28+,30-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150161
PNG
(CHEMBL341346 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC
Show InChI InChI=1S/C45H56N4O9/c1-8-49(25-31-14-10-9-11-15-31)26-32-17-19-33(20-18-32)44(54)48-39-34-21-27(2)22-38(57-7)40(51)29(4)23-30(5)42(58-45(46)55)37(56-6)16-12-13-28(3)43(53)47-35(41(34)52)24-36(39)50/h9-21,23-24,29,37-38,40,42,50-52H,8,22,25-26H2,1-7H3,(H2,46,55)(H,47,53)(H,48,54)/b16-12?,27-21?,28-13?,30-23+/t29-,37-,38-,40+,42-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150167
PNG
(CHEMBL129334 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccccc1OC
Show InChI InChI=1S/C36H45N3O10/c1-19-15-24-30(39-35(44)23-12-8-9-13-27(23)46-5)26(40)18-25(32(24)42)38-34(43)20(2)11-10-14-28(47-6)33(49-36(37)45)22(4)17-21(3)31(41)29(16-19)48-7/h8-15,17-18,21,28-29,31,33,40-42H,16H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b14-10?,19-15?,20-11?,22-17+/t21-,28-,29-,31+,33-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150166
PNG
(CHEMBL339562 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C36H45N3O10/c1-19-14-25-30(39-35(44)23-11-9-12-24(17-23)46-5)27(40)18-26(32(25)42)38-34(43)20(2)10-8-13-28(47-6)33(49-36(37)45)22(4)16-21(3)31(41)29(15-19)48-7/h8-14,16-18,21,28-29,31,33,40-42H,15H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b13-8?,19-14?,20-10?,22-16+/t21-,28-,29-,31+,33-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150181
PNG
(CHEMBL127158 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccccc1
Show InChI InChI=1S/C35H43N3O9/c1-19-15-24-29(38-34(43)23-12-8-7-9-13-23)26(39)18-25(31(24)41)37-33(42)20(2)11-10-14-27(45-5)32(47-35(36)44)22(4)17-21(3)30(40)28(16-19)46-6/h7-15,17-18,21,27-28,30,32,39-41H,16H2,1-6H3,(H2,36,44)(H,37,42)(H,38,43)/b14-10?,19-15?,20-11?,22-17+/t21-,27-,28-,30+,32-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150172
PNG
(CHEMBL127839 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C45H54N4O9/c1-26-20-34-39(48-44(54)32-16-14-30(15-17-32)24-49-19-18-31-11-7-8-12-33(31)25-49)36(50)23-35(41(34)52)47-43(53)27(2)10-9-13-37(56-5)42(58-45(46)55)29(4)22-28(3)40(51)38(21-26)57-6/h7-17,20,22-23,28,37-38,40,42,50-52H,18-19,21,24-25H2,1-6H3,(H2,46,55)(H,47,53)(H,48,54)/b13-9?,26-20?,27-10?,29-22+/t28-,37-,38-,40+,42-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150182
PNG
(CHEMBL127821 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C46H56N6O11/c1-27-22-35-40(49-45(57)32-12-10-31(11-13-32)26-50-18-20-51(21-19-50)33-14-16-34(17-15-33)52(59)60)37(53)25-36(42(35)55)48-44(56)28(2)8-7-9-38(61-5)43(63-46(47)58)30(4)24-29(3)41(54)39(23-27)62-6/h7-17,22,24-25,29,38-39,41,43,53-55H,18-21,23,26H2,1-6H3,(H2,47,58)(H,48,56)(H,49,57)/b9-7?,27-22?,28-8?,30-24+/t29-,38-,39-,41+,43-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150156
PNG
(CHEMBL434826 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C47H59N5O10/c1-28-23-36-41(50-46(57)33-13-11-32(12-14-33)27-51-19-21-52(22-20-51)34-15-17-35(59-5)18-16-34)38(53)26-37(43(36)55)49-45(56)29(2)9-8-10-39(60-6)44(62-47(48)58)31(4)25-30(3)42(54)40(24-28)61-7/h8-18,23,25-26,30,39-40,42,44,53-55H,19-22,24,27H2,1-7H3,(H2,48,58)(H,49,56)(H,50,57)/b10-8?,28-23?,29-9?,31-25+/t30-,39-,40-,42+,44-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150163
PNG
(CHEMBL434051 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2-c1cccs1
Show InChI InChI=1S/C32H40N2O8S/c1-17-13-21-27(26-11-8-12-43-26)23(35)16-22(29(21)37)34-31(38)18(2)9-7-10-24(40-5)30(42-32(33)39)20(4)15-19(3)28(36)25(14-17)41-6/h7-13,15-16,19,24-25,28,30,35-37H,14H2,1-6H3,(H2,33,39)(H,34,38)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150183
PNG
(CHEMBL338516 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C35H42FN3O9/c1-18-14-24-29(39-34(44)22-10-12-23(36)13-11-22)26(40)17-25(31(24)42)38-33(43)19(2)8-7-9-27(46-5)32(48-35(37)45)21(4)16-20(3)30(41)28(15-18)47-6/h7-14,16-17,20,27-28,30,32,40-42H,15H2,1-6H3,(H2,37,45)(H,38,43)(H,39,44)/b9-7?,18-14?,19-8?,21-16+/t20-,27-,28-,30+,32-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150180
PNG
(CHEMBL339123 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C46H56ClN5O9/c1-27-22-35-40(50-45(57)32-12-10-31(11-13-32)26-51-18-20-52(21-19-51)34-16-14-33(47)15-17-34)37(53)25-36(42(35)55)49-44(56)28(2)8-7-9-38(59-5)43(61-46(48)58)30(4)24-29(3)41(54)39(23-27)60-6/h7-17,22,24-25,29,38-39,41,43,53-55H,18-21,23,26H2,1-6H3,(H2,48,58)(H,49,56)(H,50,57)/b9-7?,27-22?,28-8?,30-24+/t29-,38-,39-,41+,43-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150158
PNG
(CHEMBL340876 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CCOC(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC
Show InChI InChI=1S/C31H43N3O10/c1-8-43-31(40)34-25-20-12-16(2)13-24(42-7)26(36)18(4)14-19(5)28(44-30(32)39)23(41-6)11-9-10-17(3)29(38)33-21(27(20)37)15-22(25)35/h9-12,14-15,18,23-24,26,28,35-37H,8,13H2,1-7H3,(H2,32,39)(H,33,38)(H,34,40)/b11-9?,16-12?,17-10?,19-14+/t18-,23-,24-,26+,28-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150168
PNG
(CHEMBL126784 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2-c1ccccc1
Show InChI InChI=1S/C34H42N2O8/c1-19-15-24-29(23-12-8-7-9-13-23)26(37)18-25(31(24)39)36-33(40)20(2)11-10-14-27(42-5)32(44-34(35)41)22(4)17-21(3)30(38)28(16-19)43-6/h7-15,17-18,21,27-28,30,32,37-39H,16H2,1-6H3,(H2,35,41)(H,36,40)/b14-10?,19-15?,20-11?,22-17+/t21-,27-,28-,30+,32-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150173
PNG
(CHEMBL124850 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C35H42N4O11/c1-18-14-24-29(38-34(44)22-10-12-23(13-11-22)39(46)47)26(40)17-25(31(24)42)37-33(43)19(2)8-7-9-27(48-5)32(50-35(36)45)21(4)16-20(3)30(41)28(15-18)49-6/h7-14,16-17,20,27-28,30,32,40-42H,15H2,1-6H3,(H2,36,45)(H,37,43)(H,38,44)/b9-7?,18-14?,19-8?,21-16+/t20-,27-,28-,30+,32-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150164
PNG
(CHEMBL436584 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1cccs1
Show InChI InChI=1S/C33H41N3O9S/c1-17-13-21-27(36-32(41)26-11-8-12-46-26)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(45-33(34)42)20(4)15-19(3)28(38)25(14-17)44-6/h7-13,15-16,19,24-25,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150174
PNG
(CHEMBL124522 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C36H45N3O10/c1-19-15-25-30(39-35(44)23-11-13-24(46-5)14-12-23)27(40)18-26(32(25)42)38-34(43)20(2)9-8-10-28(47-6)33(49-36(37)45)22(4)17-21(3)31(41)29(16-19)48-7/h8-15,17-18,21,28-29,31,33,40-42H,16H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b10-8?,19-15?,20-9?,22-17+/t21-,28-,29-,31+,33-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335642
PNG
(7-(Hydroxymethyl)thieno[3,2-c]quinolin-4(5H)-one |...)
Show SMILES OCc1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H9NO2S/c14-6-7-1-2-8-10(5-7)13-12(15)9-3-4-16-11(8)9/h1-5,14H,6H2,(H,13,15)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150178
PNG
(CHEMBL435016 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CCCN(CCC)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC
Show InChI InChI=1S/C42H58N4O9/c1-9-18-46(19-10-2)24-29-14-16-30(17-15-29)41(51)45-36-31-20-25(3)21-35(54-8)37(48)27(5)22-28(6)39(55-42(43)52)34(53-7)13-11-12-26(4)40(50)44-32(38(31)49)23-33(36)47/h11-17,20,22-23,27,34-35,37,39,47-49H,9-10,18-19,21,24H2,1-8H3,(H2,43,52)(H,44,50)(H,45,51)/b13-11?,25-20?,26-12?,28-22+/t27-,34-,35-,37+,39-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150176
PNG
(CHEMBL340163 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccco1
Show InChI InChI=1S/C33H41N3O10/c1-17-13-21-27(36-32(41)25-11-8-12-45-25)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(46-33(34)42)20(4)15-19(3)28(38)26(14-17)44-6/h7-13,15-16,19,24,26,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,26-,28+,30-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150159
PNG
(CHEMBL127176 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCCCCN1CCOCC1
Show InChI InChI=1S/C37H54N4O11/c1-22-18-26-31(40-37(47)51-15-8-7-12-41-13-16-50-17-14-41)28(42)21-27(33(26)44)39-35(45)23(2)10-9-11-29(48-5)34(52-36(38)46)25(4)20-24(3)32(43)30(19-22)49-6/h9-11,18,20-21,24,29-30,32,34,42-44H,7-8,12-17,19H2,1-6H3,(H2,38,46)(H,39,45)(H,40,47)/b11-9?,22-18?,23-10?,25-20+/t24-,29-,30-,32+,34-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150175
PNG
(CHEMBL127177 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CCl)cc1
Show InChI InChI=1S/C36H44ClN3O9/c1-19-14-25-30(40-35(45)24-12-10-23(18-37)11-13-24)27(41)17-26(32(25)43)39-34(44)20(2)8-7-9-28(47-5)33(49-36(38)46)22(4)16-21(3)31(42)29(15-19)48-6/h7-14,16-17,21,28-29,31,33,41-43H,15,18H2,1-6H3,(H2,38,46)(H,39,44)(H,40,45)/b9-7?,19-14?,20-8?,22-16+/t21-,28-,29-,31+,33-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150162
PNG
(CHEMBL127088 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C46H63N5O9/c1-28-23-35-40(49-45(56)33-17-15-32(16-18-33)27-50-19-21-51(22-20-50)34-12-8-7-9-13-34)37(52)26-36(42(35)54)48-44(55)29(2)11-10-14-38(58-5)43(60-46(47)57)31(4)25-30(3)41(53)39(24-28)59-6/h10-11,14-18,23,25-26,30,34,38-39,41,43,52-54H,7-9,12-13,19-22,24,27H2,1-6H3,(H2,47,57)(H,48,55)(H,49,56)/b14-10?,28-23?,29-11?,31-25+/t30-,38-,39-,41+,43-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50335640
PNG
(4-Oxo-4,5-dihydrothieno[3,2-c]quinoline-7-carboxyl...)
Show SMILES OC(=O)c1ccc2c3sccc3c(=O)[nH]c2c1
Show InChI InChI=1S/C12H7NO3S/c14-11-8-3-4-17-10(8)7-2-1-6(12(15)16)5-9(7)13-11/h1-5H,(H,13,14)(H,15,16)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by chemiluminescence assay


J Med Chem 54: 635-54 (2011)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150157
PNG
(CHEMBL436002 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CN2CCN(C)CC2)cc1
Show InChI InChI=1S/C41H55N5O9/c1-24-19-30-35(44-40(51)29-13-11-28(12-14-29)23-46-17-15-45(5)16-18-46)32(47)22-31(37(30)49)43-39(50)25(2)9-8-10-33(53-6)38(55-41(42)52)27(4)21-26(3)36(48)34(20-24)54-7/h8-14,19,21-22,26,33-34,36,38,47-49H,15-18,20,23H2,1-7H3,(H2,42,52)(H,43,50)(H,44,51)/b10-8?,24-19?,25-9?,27-21+/t26-,33-,34-,36+,38-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150166
PNG
(CHEMBL339562 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1cccc(OC)c1
Show InChI InChI=1S/C36H45N3O10/c1-19-14-25-30(39-35(44)23-11-9-12-24(17-23)46-5)27(40)18-26(32(25)42)38-34(43)20(2)10-8-13-28(47-6)33(49-36(37)45)22(4)16-21(3)31(41)29(15-19)48-7/h8-14,16-18,21,28-29,31,33,40-42H,15H2,1-7H3,(H2,37,45)(H,38,43)(H,39,44)/b13-8?,19-14?,20-10?,22-16+/t21-,28-,29-,31+,33-/m0/s1
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Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhbit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150159
PNG
(CHEMBL127176 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCCCCN1CCOCC1
Show InChI InChI=1S/C37H54N4O11/c1-22-18-26-31(40-37(47)51-15-8-7-12-41-13-16-50-17-14-41)28(42)21-27(33(26)44)39-35(45)23(2)10-9-11-29(48-5)34(52-36(38)46)25(4)20-24(3)32(43)30(19-22)49-6/h9-11,18,20-21,24,29-30,32,34,42-44H,7-8,12-17,19H2,1-6H3,(H2,38,46)(H,39,45)(H,40,47)/b11-9?,22-18?,23-10?,25-20+/t24-,29-,30-,32+,34-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit biotin-GM binding to recombinant heat shock protein 90(rHsp90)


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150161
PNG
(CHEMBL341346 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC
Show InChI InChI=1S/C45H56N4O9/c1-8-49(25-31-14-10-9-11-15-31)26-32-17-19-33(20-18-32)44(54)48-39-34-21-27(2)22-38(57-7)40(51)29(4)23-30(5)42(58-45(46)55)37(56-6)16-12-13-28(3)43(53)47-35(41(34)52)24-36(39)50/h9-21,23-24,29,37-38,40,42,50-52H,8,22,25-26H2,1-7H3,(H2,46,55)(H,47,53)(H,48,54)/b16-12?,27-21?,28-13?,30-23+/t29-,37-,38-,40+,42-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhibit biotin-GM binding to recombinant heat shock protein 90(rHsp90)


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (human))
BDBM50150159
PNG
(CHEMBL127176 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...)
Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)OCCCCN1CCOCC1
Show InChI InChI=1S/C37H54N4O11/c1-22-18-26-31(40-37(47)51-15-8-7-12-41-13-16-50-17-14-41)28(42)21-27(33(26)44)39-35(45)23(2)10-9-11-29(48-5)34(52-36(38)46)25(4)20-24(3)32(43)30(19-22)49-6/h9-11,18,20-21,24,29-30,32,34,42-44H,7-8,12-17,19H2,1-6H3,(H2,38,46)(H,39,45)(H,40,47)/b11-9?,22-18?,23-10?,25-20+/t24-,29-,30-,32+,34-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Conforma Therapeutics Corporation

Curated by ChEMBL


Assay Description
Concentration required to inhbit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assay


J Med Chem 47: 3865-73 (2004)

More data for this
Ligand-Target Pair
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