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Compile Data Set for Download or QSAR

Found 5 hits of ic50 data for polymerid = 50000563   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Frizzled-7


(Homo sapiens)
BDBM50519340
PNG
(CHEMBL4435748)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C144H212N34O38S4/c1-19-75(11)117(141(213)159-95(43-47-217-17)125(197)161-97(121(147)193)53-81-35-39-87(183)40-36-81)177-137(209)105(57-85-65-149-69-153-85)169-139(211)111(175-131(203)103(55-83-63-151-91-31-23-21-29-89(83)91)167-129(201)101(51-73(7)8)163-123(195)93(33-25-27-45-145)157-127(199)99(49-71(3)4)165-133(205)107(59-113(185)186)171-135(207)109(61-115(189)190)173-143(215)119(77(13)179)155-79(15)181)67-219-220-68-112(140(212)170-106(58-86-66-150-70-154-86)138(210)178-118(76(12)20-2)142(214)160-96(44-48-218-18)126(198)162-98(122(148)194)54-82-37-41-88(184)42-38-82)176-132(204)104(56-84-64-152-92-32-24-22-30-90(84)92)168-130(202)102(52-74(9)10)164-124(196)94(34-26-28-46-146)158-128(200)100(50-72(5)6)166-134(206)108(60-114(187)188)172-136(208)110(62-116(191)192)174-144(216)120(78(14)180)156-80(16)182/h21-24,29-32,35-42,63-66,69-78,93-112,117-120,151-152,179-180,183-184H,19-20,25-28,33-34,43-62,67-68,145-146H2,1-18H3,(H2,147,193)(H2,148,194)(H,149,153)(H,150,154)(H,155,181)(H,156,182)(H,157,199)(H,158,200)(H,159,213)(H,160,214)(H,161,197)(H,162,198)(H,163,195)(H,164,196)(H,165,205)(H,166,206)(H,167,201)(H,168,202)(H,169,211)(H,170,212)(H,171,207)(H,172,208)(H,173,215)(H,174,216)(H,175,203)(H,176,204)(H,177,209)(H,178,210)(H,185,186)(H,187,188)(H,189,190)(H,191,192)/t75-,76-,77-,78-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Frizzled-7 in HEK293 cells expressing Wnt assessed as reduction in Wnt signaling by firefly luciferase reporter gene assay


J Med Chem 62: 7739-7750 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00500
BindingDB Entry DOI: 10.7270/Q2MG7SVD
More data for this
Ligand-Target Pair
Frizzled-7


(Homo sapiens)
BDBM50519331
PNG
(CHEMBL4438919)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C140H198N32O42S4/c1-17-71(11)115(139(213)153-89(39-41-215-15)121(195)155-91(117(141)191)47-75-27-31-81(177)32-28-75)171-133(207)99(51-79-59-143-65-147-79)163-137(211)107(169-127(201)97(49-77-57-145-85-25-21-19-23-83(77)85)161-125(199)95(45-69(7)8)157-119(193)87(35-37-109(179)180)151-123(197)93(43-67(3)4)159-129(203)101(53-111(183)184)165-131(205)103(55-113(187)188)167-135(209)105(61-173)149-73(13)175)63-217-218-64-108(138(212)164-100(52-80-60-144-66-148-80)134(208)172-116(72(12)18-2)140(214)154-90(40-42-216-16)122(196)156-92(118(142)192)48-76-29-33-82(178)34-30-76)170-128(202)98(50-78-58-146-86-26-22-20-24-84(78)86)162-126(200)96(46-70(9)10)158-120(194)88(36-38-110(181)182)152-124(198)94(44-68(5)6)160-130(204)102(54-112(185)186)166-132(206)104(56-114(189)190)168-136(210)106(62-174)150-74(14)176/h19-34,57-60,65-72,87-108,115-116,145-146,173-174,177-178H,17-18,35-56,61-64H2,1-16H3,(H2,141,191)(H2,142,192)(H,143,147)(H,144,148)(H,149,175)(H,150,176)(H,151,197)(H,152,198)(H,153,213)(H,154,214)(H,155,195)(H,156,196)(H,157,193)(H,158,194)(H,159,203)(H,160,204)(H,161,199)(H,162,200)(H,163,211)(H,164,212)(H,165,205)(H,166,206)(H,167,209)(H,168,210)(H,169,201)(H,170,202)(H,171,207)(H,172,208)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)/t71-,72-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Frizzled-7 in HEK293 cells expressing Wnt assessed as reduction in Wnt signaling by firefly luciferase reporter gene assay


J Med Chem 62: 7739-7750 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00500
BindingDB Entry DOI: 10.7270/Q2MG7SVD
More data for this
Ligand-Target Pair
Frizzled-7


(Homo sapiens)
BDBM50519332
PNG
(CHEMBL4450933)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C142H202N32O42S4/c1-19-71(11)115(139(213)155-91(41-43-217-17)123(197)157-93(119(143)193)49-77-29-33-83(179)34-30-77)173-135(209)101(53-81-61-145-65-149-81)165-137(211)107(171-129(203)99(51-79-59-147-87-27-23-21-25-85(79)87)163-127(201)97(47-69(7)8)159-121(195)89(37-39-109(181)182)153-125(199)95(45-67(3)4)161-131(205)103(55-111(185)186)167-133(207)105(57-113(189)190)169-141(215)117(73(13)175)151-75(15)177)63-219-220-64-108(138(212)166-102(54-82-62-146-66-150-82)136(210)174-116(72(12)20-2)140(214)156-92(42-44-218-18)124(198)158-94(120(144)194)50-78-31-35-84(180)36-32-78)172-130(204)100(52-80-60-148-88-28-24-22-26-86(80)88)164-128(202)98(48-70(9)10)160-122(196)90(38-40-110(183)184)154-126(200)96(46-68(5)6)162-132(206)104(56-112(187)188)168-134(208)106(58-114(191)192)170-142(216)118(74(14)176)152-76(16)178/h21-36,59-62,65-74,89-108,115-118,147-148,175-176,179-180H,19-20,37-58,63-64H2,1-18H3,(H2,143,193)(H2,144,194)(H,145,149)(H,146,150)(H,151,177)(H,152,178)(H,153,199)(H,154,200)(H,155,213)(H,156,214)(H,157,197)(H,158,198)(H,159,195)(H,160,196)(H,161,205)(H,162,206)(H,163,201)(H,164,202)(H,165,211)(H,166,212)(H,167,207)(H,168,208)(H,169,215)(H,170,216)(H,171,203)(H,172,204)(H,173,209)(H,174,210)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)/t71-,72-,73-,74-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,115-,116-,117-,118-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Frizzled-7 in HEK293 cells expressing Wnt assessed as reduction in Wnt signaling by firefly luciferase reporter gene assay


J Med Chem 62: 7739-7750 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00500
BindingDB Entry DOI: 10.7270/Q2MG7SVD
More data for this
Ligand-Target Pair
Frizzled-7


(Homo sapiens)
BDBM50519308
PNG
(CHEMBL4554351)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C166H226N36O46S4/c1-83(2)57-111(183-151(233)119(69-133(213)214)191-153(235)121(71-135(217)218)193-157(239)125(77-203)195-161(243)129-37-27-53-201(129)165(247)123(59-85(5)6)175-89(13)205)145(227)177-105(47-49-131(209)210)141(223)185-113(63-91-29-19-17-20-30-91)147(229)187-115(65-95-73-171-103-35-25-23-33-101(95)103)149(231)197-127(159(241)189-117(67-97-75-169-81-173-97)155(237)199-137(87(9)10)163(245)179-107(51-55-249-15)143(225)181-109(139(167)221)61-93-39-43-99(207)44-40-93)79-251-252-80-128(160(242)190-118(68-98-76-170-82-174-98)156(238)200-138(88(11)12)164(246)180-108(52-56-250-16)144(226)182-110(140(168)222)62-94-41-45-100(208)46-42-94)198-150(232)116(66-96-74-172-104-36-26-24-34-102(96)104)188-148(230)114(64-92-31-21-18-22-32-92)186-142(224)106(48-50-132(211)212)178-146(228)112(58-84(3)4)184-152(234)120(70-134(215)216)192-154(236)122(72-136(219)220)194-158(240)126(78-204)196-162(244)130-38-28-54-202(130)166(248)124(60-86(7)8)176-90(14)206/h17-26,29-36,39-46,73-76,81-88,105-130,137-138,171-172,203-204,207-208H,27-28,37-38,47-72,77-80H2,1-16H3,(H2,167,221)(H2,168,222)(H,169,173)(H,170,174)(H,175,205)(H,176,206)(H,177,227)(H,178,228)(H,179,245)(H,180,246)(H,181,225)(H,182,226)(H,183,233)(H,184,234)(H,185,223)(H,186,224)(H,187,229)(H,188,230)(H,189,241)(H,190,242)(H,191,235)(H,192,236)(H,193,239)(H,194,240)(H,195,243)(H,196,244)(H,197,231)(H,198,232)(H,199,237)(H,200,238)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)/t105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,137-,138-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Frizzled-7 in HEK293 cells expressing Wnt assessed as reduction in Wnt signaling by firefly luciferase reporter gene assay


J Med Chem 62: 7739-7750 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00500
BindingDB Entry DOI: 10.7270/Q2MG7SVD
More data for this
Ligand-Target Pair
Frizzled-7


(Homo sapiens)
BDBM50519338
PNG
(CHEMBL4557583)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(C)=O)[C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C148H196Cl2N32O42S4/c1-15-73(7)121(145(221)163-97(43-45-225-13)129(205)165-99(125(151)201)51-79-31-35-89(187)36-32-79)181-141(217)107(57-87-65-153-69-157-87)173-143(219)113(179-135(211)105(55-83-63-155-93-29-19-17-27-91(83)93)171-132(208)102(48-72(5)6)167-127(203)95(39-41-115(189)190)162-133(209)103(53-81-23-21-25-85(149)49-81)170-138(214)110(60-118(195)196)176-140(216)112(62-120(199)200)178-148(224)124(76(10)184)160-78(12)186)67-227-228-68-114(144(220)174-108(58-88-66-154-70-158-88)142(218)182-122(74(8)16-2)146(222)164-98(44-46-226-14)130(206)166-100(126(152)202)52-80-33-37-90(188)38-34-80)180-136(212)106(56-84-64-156-94-30-20-18-28-92(84)94)172-134(210)104(54-82-24-22-26-86(150)50-82)169-128(204)96(40-42-116(191)192)161-131(207)101(47-71(3)4)168-137(213)109(59-117(193)194)175-139(215)111(61-119(197)198)177-147(223)123(75(9)183)159-77(11)185/h17-38,49-50,63-66,69-76,95-114,121-124,155-156,183-184,187-188H,15-16,39-48,51-62,67-68H2,1-14H3,(H2,151,201)(H2,152,202)(H,153,157)(H,154,158)(H,159,185)(H,160,186)(H,161,207)(H,162,209)(H,163,221)(H,164,222)(H,165,205)(H,166,206)(H,167,203)(H,168,213)(H,169,204)(H,170,214)(H,171,208)(H,172,210)(H,173,219)(H,174,220)(H,175,215)(H,176,216)(H,177,223)(H,178,224)(H,179,211)(H,180,212)(H,181,217)(H,182,218)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t73-,74-,75-,76-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-,123-,124-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 53n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Frizzled-7 in HEK293 cells expressing Wnt assessed as reduction in Wnt signaling by firefly luciferase reporter gene assay


J Med Chem 62: 7739-7750 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00500
BindingDB Entry DOI: 10.7270/Q2MG7SVD
More data for this
Ligand-Target Pair