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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'mehta' and Initial = 'sc'   
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
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427852
PNG
(CHEMBL2326346)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C37H33N7O10S2/c45-36-30-9-3-5-11-32(30)38-34(25-13-17-28(18-14-25)53-55(47,48)49)43(36)22-8-2-1-7-21-42-23-27(40-41-42)24-44-35(39-33-12-6-4-10-31(33)37(44)46)26-15-19-29(20-16-26)54-56(50,51)52/h3-6,9-20,23H,1-2,7-8,21-22,24H2,(H,47,48,49)(H,50,51,52)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427853
PNG
(CHEMBL2326345)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C36H31N7O10S2/c44-35-29-8-2-4-10-31(29)37-33(24-12-16-27(17-13-24)52-54(46,47)48)42(35)21-7-1-6-20-41-22-26(39-40-41)23-43-34(38-32-11-5-3-9-30(32)36(43)45)25-14-18-28(19-15-25)53-55(49,50)51/h2-5,8-19,22H,1,6-7,20-21,23H2,(H,46,47,48)(H,49,50,51)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427855
PNG
(CHEMBL2326343)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-7-1-3-9-30(28)36-32(23-11-15-26(16-12-23)51-53(45,46)47)41(34)20-6-5-19-40-21-25(38-39-40)22-42-33(37-31-10-4-2-8-29(31)35(42)44)24-13-17-27(18-14-24)52-54(48,49)50/h1-4,7-18,21H,5-6,19-20,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427843
PNG
(CHEMBL2326355)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCn1nncc1Cn1c(nc2ccccc2c1=O)-c1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1S/C36H31N7O10S2/c44-35-29-8-2-4-10-31(29)38-33(24-12-16-27(17-13-24)52-54(46,47)48)41(35)20-6-1-7-21-43-26(22-37-40-43)23-42-34(39-32-11-5-3-9-30(32)36(42)45)25-14-18-28(19-15-25)53-55(49,50)51/h2-5,8-19,22H,1,6-7,20-21,23H2,(H,46,47,48)(H,49,50,51)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427854
PNG
(CHEMBL2326344)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1cn(CCCCn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-10-1-3-12-30(28)37-33(24-8-7-9-27(20-24)52-54(48,49)50)41(34)19-6-5-18-40-21-25(38-39-40)22-42-32(36-31-13-4-2-11-29(31)35(42)44)23-14-16-26(17-15-23)51-53(45,46)47/h1-4,7-17,20-21H,5-6,18-19,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 9.10E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427860
PNG
(CHEMBL2326078)
Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-13-1-3-15-30(28)36-32(23-9-7-11-26(19-23)51-53(45,46)47)41(34)18-6-5-17-40-21-25(38-39-40)22-42-33(37-31-16-4-2-14-29(31)35(42)44)24-10-8-12-27(20-24)52-54(48,49)50/h1-4,7-16,19-21H,5-6,17-18,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 1.02E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427858
PNG
(CHEMBL2326080)
Show SMILES COc1cc(ccc1OS(O)(=O)=O)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)c(OC)c2)nn1
Show InChI InChI=1S/C37H33N7O12S2/c1-53-32-19-23(13-15-30(32)55-57(47,48)49)34-38-28-11-5-3-9-26(28)36(45)43(34)18-8-7-17-42-21-25(40-41-42)22-44-35(39-29-12-6-4-10-27(29)37(44)46)24-14-16-31(33(20-24)54-2)56-58(50,51)52/h3-6,9-16,19-21H,7-8,17-18,22H2,1-2H3,(H,47,48,49)(H,50,51,52)
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n/an/a 1.39E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427859
PNG
(CHEMBL2326079)
Show SMILES CC(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C37H31N7O13S2/c1-22(45)55-27-15-24(17-29(19-27)57-59(52,53)54)34-38-32-10-4-2-8-30(32)36(47)43(34)13-7-6-12-42-20-25(40-41-42)21-44-35(39-33-11-5-3-9-31(33)37(44)48)23-14-26(46)18-28(16-23)56-58(49,50)51/h2-5,8-11,14-20,46H,6-7,12-13,21H2,1H3,(H,49,50,51)(H,52,53,54)
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n/an/a 1.53E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427856
PNG
(CHEMBL2326342)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-10-1-3-12-30(28)36-32(23-14-16-26(17-15-23)51-53(45,46)47)41(34)19-6-5-18-40-21-25(38-39-40)22-42-33(37-31-13-4-2-11-29(31)35(42)44)24-8-7-9-27(20-24)52-54(48,49)50/h1-4,7-17,20-21H,5-6,18-19,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 1.59E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427851
PNG
(CHEMBL2326347)
Show SMILES COc1cc(ccc1OS(O)(=O)=O)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C36H31N7O11S2/c1-52-32-20-24(15-16-31(32)54-56(49,50)51)33-37-29-13-4-2-11-27(29)35(44)42(33)18-7-6-17-41-21-25(39-40-41)22-43-34(38-30-14-5-3-12-28(30)36(43)45)23-9-8-10-26(19-23)53-55(46,47)48/h2-5,8-16,19-21H,6-7,17-18,22H2,1H3,(H,46,47,48)(H,49,50,51)
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n/an/a 1.82E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427850
PNG
(CHEMBL2326348)
Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O14S3/c43-34-28-10-1-3-12-30(28)36-32(22-8-7-9-25(16-22)54-57(45,46)47)41(34)15-6-5-14-40-20-24(38-39-40)21-42-33(37-31-13-4-2-11-29(31)35(42)44)23-17-26(55-58(48,49)50)19-27(18-23)56-59(51,52)53/h1-4,7-13,16-20H,5-6,14-15,21H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)
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n/an/a 2.13E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427846
PNG
(CHEMBL2326352)
Show SMILES COc1cc(ccc1OS(O)(=O)=O)-c1nc2ccccc2c(=O)n1CCCCn1cc(COc2cc(ccc2OS(O)(=O)=O)-c2oc3cc(OS(O)(=O)=O)cc(OC)c3c(=O)c2OS(O)(=O)=O)nn1
Show InChI InChI=1S/C38H33N5O22S4/c1-58-29-16-22(10-12-27(29)63-67(49,50)51)37-39-26-8-4-3-7-25(26)38(45)43(37)14-6-5-13-42-19-23(40-41-42)20-60-30-15-21(9-11-28(30)64-68(52,53)54)35-36(65-69(55,56)57)34(44)33-31(59-2)17-24(18-32(33)61-35)62-66(46,47)48/h3-4,7-12,15-19H,5-6,13-14,20H2,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)
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n/an/a 2.16E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427849
PNG
(CHEMBL2326349)
Show SMILES CC(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C37H31N7O16S3/c1-22(45)57-26-14-23(15-27(18-26)58-61(48,49)50)34-38-32-10-4-2-8-30(32)36(46)43(34)13-7-6-12-42-20-25(40-41-42)21-44-35(39-33-11-5-3-9-31(33)37(44)47)24-16-28(59-62(51,52)53)19-29(17-24)60-63(54,55)56/h2-5,8-11,14-20H,6-7,12-13,21H2,1H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)
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n/an/a 2.73E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427844
PNG
(CHEMBL2326354)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1cn(CCn2cc(Cn3c(nc4ccccc4c3=O)-c3ccc(OS(O)(=O)=O)cc3)nn2)nn1
Show InChI InChI=1S/C36H28N10O10S2/c47-35-29-5-1-3-7-31(29)37-33(23-9-13-27(14-10-23)55-57(49,50)51)45(35)21-25-19-43(41-39-25)17-18-44-20-26(40-42-44)22-46-34(38-32-8-4-2-6-30(32)36(46)48)24-11-15-28(16-12-24)56-58(52,53)54/h1-16,19-20H,17-18,21-22H2,(H,49,50,51)(H,52,53,54)
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n/an/a 3.05E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427857
PNG
(CHEMBL2326341)
Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C34H27N7O10S2/c42-33-27-12-1-3-14-29(27)35-31(22-8-5-10-25(18-22)50-52(44,45)46)40(33)17-7-16-39-20-24(37-38-39)21-41-32(36-30-15-4-2-13-28(30)34(41)43)23-9-6-11-26(19-23)51-53(47,48)49/h1-6,8-15,18-20H,7,16-17,21H2,(H,44,45,46)(H,47,48,49)
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n/an/a 3.20E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427845
PNG
(CHEMBL2326353)
Show SMILES COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cc(OC(C)=O)cc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12
Show InChI InChI=1S/C39H33N5O23S4/c1-21(45)62-25-13-23(14-26(16-25)64-68(48,49)50)38-40-29-8-4-3-7-28(29)39(47)44(38)12-6-5-11-43-19-24(41-42-43)20-61-31-15-22(9-10-30(31)66-70(54,55)56)36-37(67-71(57,58)59)35(46)34-32(60-2)17-27(18-33(34)63-36)65-69(51,52)53/h3-4,7-10,13-19H,5-6,11-12,20H2,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)
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n/an/a 4.07E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427861
PNG
(CHEMBL2326077)
Show SMILES CC(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1Cc1cn(CCCCn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C37H31N7O8S/c1-24(45)51-28-12-8-10-25(20-28)35-39-33-17-5-3-15-31(33)37(47)44(35)23-27-22-42(41-40-27)18-6-7-19-43-34(38-32-16-4-2-14-30(32)36(43)46)26-11-9-13-29(21-26)52-53(48,49)50/h2-5,8-17,20-22H,6-7,18-19,23H2,1H3,(H,48,49,50)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427848
PNG
(CHEMBL2326350)
Show SMILES OS(=O)(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O18S4/c43-34-28-7-1-3-9-30(28)36-32(21-13-24(57-61(45,46)47)17-25(14-21)58-62(48,49)50)41(34)12-6-5-11-40-19-23(38-39-40)20-42-33(37-31-10-4-2-8-29(31)35(42)44)22-15-26(59-63(51,52)53)18-27(16-22)60-64(54,55)56/h1-4,7-10,13-19H,5-6,11-12,20H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427847
PNG
(CHEMBL2326351)
Show SMILES COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cccc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12
Show InChI InChI=1S/C37H31N5O21S4/c1-57-30-17-25(61-65(48,49)50)18-31-32(30)33(43)35(63-67(54,55)56)34(59-31)21-11-12-28(62-66(51,52)53)29(16-21)58-20-23-19-41(40-39-23)13-4-5-14-42-36(38-27-10-3-2-9-26(27)37(42)44)22-7-6-8-24(15-22)60-64(45,46)47/h2-3,6-12,15-19H,4-5,13-14,20H2,1H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Frizzled-7


(Homo sapiens)
BDBM50519330
PNG
(CHEMBL4457076)
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](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](CO)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](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](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C140H204N34O38S4/c1-69(2)45-95(161-129(201)103(55-111(181)182)167-131(203)105(57-113(185)186)169-135(207)107(63-175)151-75(13)177)123(195)153-89(29-21-23-41-141)119(191)159-97(47-71(5)6)125(197)163-99(51-79-59-147-87-27-19-17-25-85(79)87)127(199)171-109(137(209)165-101(53-81-61-145-67-149-81)133(205)173-115(73(9)10)139(211)155-91(39-43-213-15)121(193)157-93(117(143)189)49-77-31-35-83(179)36-32-77)65-215-216-66-110(138(210)166-102(54-82-62-146-68-150-82)134(206)174-116(74(11)12)140(212)156-92(40-44-214-16)122(194)158-94(118(144)190)50-78-33-37-84(180)38-34-78)172-128(200)100(52-80-60-148-88-28-20-18-26-86(80)88)164-126(198)98(48-72(7)8)160-120(192)90(30-22-24-42-142)154-124(196)96(46-70(3)4)162-130(202)104(56-112(183)184)168-132(204)106(58-114(187)188)170-136(208)108(64-176)152-76(14)178/h17-20,25-28,31-38,59-62,67-74,89-110,115-116,147-148,175-176,179-180H,21-24,29-30,39-58,63-66,141-142H2,1-16H3,(H2,143,189)(H2,144,190)(H,145,149)(H,146,150)(H,151,177)(H,152,178)(H,153,195)(H,154,196)(H,155,211)(H,156,212)(H,157,193)(H,158,194)(H,159,191)(H,160,192)(H,161,201)(H,162,202)(H,163,197)(H,164,198)(H,165,209)(H,166,210)(H,167,203)(H,168,204)(H,169,207)(H,170,208)(H,171,199)(H,172,200)(H,173,205)(H,174,206)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/t89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-/m0/s1
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n/an/an/a 0.142n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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-1


(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
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n/an/an/a 0.340n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-1 (Gln73 to His253 residues)/human IgG1 chimeric protein expressed in mouse NS0 cells by SPR 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)
BDBM50519339
PNG
(CHEMBL4453445)
Show SMILES CCCC[C@H](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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[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](CCCC)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(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=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 |r|
Show InChI InChI=1S/C144H190N32O42S4/c1-11-13-31-91(155-133(207)105(59-115(187)188)169-135(209)107(61-117(191)192)171-139(213)109(67-177)153-75(7)179)123(197)157-93(43-45-113(183)184)125(199)163-99(53-77-25-17-15-18-26-77)129(203)165-101(55-81-63-149-89-33-23-21-29-87(81)89)131(205)173-111(141(215)167-103(57-83-65-147-71-151-83)137(211)175-119(73(3)4)143(217)159-95(47-49-219-9)127(201)161-97(121(145)195)51-79-35-39-85(181)40-36-79)69-221-222-70-112(142(216)168-104(58-84-66-148-72-152-84)138(212)176-120(74(5)6)144(218)160-96(48-50-220-10)128(202)162-98(122(146)196)52-80-37-41-86(182)42-38-80)174-132(206)102(56-82-64-150-90-34-24-22-30-88(82)90)166-130(204)100(54-78-27-19-16-20-28-78)164-126(200)94(44-46-114(185)186)158-124(198)92(32-14-12-2)156-134(208)106(60-116(189)190)170-136(210)108(62-118(193)194)172-140(214)110(68-178)154-76(8)180/h15-30,33-42,63-66,71-74,91-112,119-120,149-150,177-178,181-182H,11-14,31-32,43-62,67-70H2,1-10H3,(H2,145,195)(H2,146,196)(H,147,151)(H,148,152)(H,153,179)(H,154,180)(H,155,207)(H,156,208)(H,157,197)(H,158,198)(H,159,217)(H,160,218)(H,161,201)(H,162,202)(H,163,199)(H,164,200)(H,165,203)(H,166,204)(H,167,215)(H,168,216)(H,169,209)(H,170,210)(H,171,213)(H,172,214)(H,173,205)(H,174,206)(H,175,211)(H,176,212)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-/m0/s1
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n/an/an/a 5.40n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519323
PNG
(CHEMBL4556418)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC1CCC1)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(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCC1)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(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C148H194N32O42S4/c1-75(2)49-101(165-141(215)111(61-121(191)192)175-143(217)113(63-123(195)196)177-145(219)115(69-181)157-77(5)183)131(205)159-95(41-43-119(187)188)127(201)167-105(53-79-21-11-9-12-22-79)135(209)171-107(57-85-65-153-93-31-17-15-29-91(85)93)137(211)179-117(147(221)173-109(59-87-67-151-73-155-87)139(213)169-103(55-81-25-19-26-81)133(207)161-97(45-47-223-7)129(203)163-99(125(149)199)51-83-33-37-89(185)38-34-83)71-225-226-72-118(148(222)174-110(60-88-68-152-74-156-88)140(214)170-104(56-82-27-20-28-82)134(208)162-98(46-48-224-8)130(204)164-100(126(150)200)52-84-35-39-90(186)40-36-84)180-138(212)108(58-86-66-154-94-32-18-16-30-92(86)94)172-136(210)106(54-80-23-13-10-14-24-80)168-128(202)96(42-44-120(189)190)160-132(206)102(50-76(3)4)166-142(216)112(62-122(193)194)176-144(218)114(64-124(197)198)178-146(220)116(70-182)158-78(6)184/h9-18,21-24,29-40,65-68,73-76,81-82,95-118,153-154,181-182,185-186H,19-20,25-28,41-64,69-72H2,1-8H3,(H2,149,199)(H2,150,200)(H,151,155)(H,152,156)(H,157,183)(H,158,184)(H,159,205)(H,160,206)(H,161,207)(H,162,208)(H,163,203)(H,164,204)(H,165,215)(H,166,216)(H,167,201)(H,168,202)(H,169,213)(H,170,214)(H,171,209)(H,172,210)(H,173,221)(H,174,222)(H,175,217)(H,176,218)(H,177,219)(H,178,220)(H,179,211)(H,180,212)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)/t95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-/m0/s1
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n/an/an/a 0.400n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519333
PNG
(CHEMBL4460540)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSSC[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/C143H204N32O42S4/c1-19-72(11)116(140(214)157-92(41-44-218-17)124(198)159-95(120(144)194)51-78-29-33-84(180)34-30-78)174-137(211)103(55-82-63-146-66-150-82)167-126(200)94(156-131(205)101(53-80-61-148-88-27-23-21-25-86(80)88)165-129(203)99(49-70(7)8)161-122(196)90(37-39-110(182)183)154-127(201)97(47-68(3)4)163-133(207)105(57-112(186)187)169-135(209)107(59-114(190)191)171-142(216)118(74(13)176)152-76(15)178)43-46-220-221-65-109(139(213)168-104(56-83-64-147-67-151-83)138(212)175-117(73(12)20-2)141(215)158-93(42-45-219-18)125(199)160-96(121(145)195)52-79-31-35-85(181)36-32-79)173-132(206)102(54-81-62-149-89-28-24-22-26-87(81)89)166-130(204)100(50-71(9)10)162-123(197)91(38-40-111(184)185)155-128(202)98(48-69(5)6)164-134(208)106(58-113(188)189)170-136(210)108(60-115(192)193)172-143(217)119(75(14)177)153-77(16)179/h21-36,61-64,66-75,90-109,116-119,148-149,176-177,180-181H,19-20,37-60,65H2,1-18H3,(H2,144,194)(H2,145,195)(H,146,150)(H,147,151)(H,152,178)(H,153,179)(H,154,201)(H,155,202)(H,156,205)(H,157,214)(H,158,215)(H,159,198)(H,160,199)(H,161,196)(H,162,197)(H,163,207)(H,164,208)(H,165,203)(H,166,204)(H,167,200)(H,168,213)(H,169,209)(H,170,210)(H,171,216)(H,172,217)(H,173,206)(H,174,211)(H,175,212)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)/t72-,73-,74+,75-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,116-,117-,118-,119-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.370n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519310
PNG
(CHEMBL4445160)
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(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(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C144H190N32O42S4/c1-71(2)47-97(161-133(207)105(57-115(187)188)169-135(209)107(59-117(191)192)171-139(213)109(65-177)153-75(9)179)127(201)155-91(39-41-113(183)184)123(197)163-99(51-77-23-15-13-16-24-77)129(203)165-101(53-81-61-149-89-29-21-19-27-87(81)89)131(205)173-111(141(215)167-103(55-83-63-147-69-151-83)137(211)175-119(73(5)6)143(217)157-93(43-45-219-11)125(199)159-95(121(145)195)49-79-31-35-85(181)36-32-79)67-221-222-68-112(142(216)168-104(56-84-64-148-70-152-84)138(212)176-120(74(7)8)144(218)158-94(44-46-220-12)126(200)160-96(122(146)196)50-80-33-37-86(182)38-34-80)174-132(206)102(54-82-62-150-90-30-22-20-28-88(82)90)166-130(204)100(52-78-25-17-14-18-26-78)164-124(198)92(40-42-114(185)186)156-128(202)98(48-72(3)4)162-134(208)106(58-116(189)190)170-136(210)108(60-118(193)194)172-140(214)110(66-178)154-76(10)180/h13-38,61-64,69-74,91-112,119-120,149-150,177-178,181-182H,39-60,65-68H2,1-12H3,(H2,145,195)(H2,146,196)(H,147,151)(H,148,152)(H,153,179)(H,154,180)(H,155,201)(H,156,202)(H,157,217)(H,158,218)(H,159,199)(H,160,200)(H,161,207)(H,162,208)(H,163,197)(H,164,198)(H,165,203)(H,166,204)(H,167,215)(H,168,216)(H,169,209)(H,170,210)(H,171,213)(H,172,214)(H,173,205)(H,174,206)(H,175,211)(H,176,212)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.370n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519312
PNG
(CHEMBL4452638)
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](NC(C)=O)[C@@H](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](NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C146H194N32O42S4/c1-71(2)49-99(163-135(209)107(59-115(189)190)171-137(211)109(61-117(193)194)173-145(219)121(75(9)179)155-77(11)181)129(203)157-93(41-43-113(185)186)125(199)165-101(53-79-25-17-15-18-26-79)131(205)167-103(55-83-63-151-91-31-23-21-29-89(83)91)133(207)175-111(141(215)169-105(57-85-65-149-69-153-85)139(213)177-119(73(5)6)143(217)159-95(45-47-221-13)127(201)161-97(123(147)197)51-81-33-37-87(183)38-34-81)67-223-224-68-112(142(216)170-106(58-86-66-150-70-154-86)140(214)178-120(74(7)8)144(218)160-96(46-48-222-14)128(202)162-98(124(148)198)52-82-35-39-88(184)40-36-82)176-134(208)104(56-84-64-152-92-32-24-22-30-90(84)92)168-132(206)102(54-80-27-19-16-20-28-80)166-126(200)94(42-44-114(187)188)158-130(204)100(50-72(3)4)164-136(210)108(60-116(191)192)172-138(212)110(62-118(195)196)174-146(220)122(76(10)180)156-78(12)182/h15-40,63-66,69-76,93-112,119-122,151-152,179-180,183-184H,41-62,67-68H2,1-14H3,(H2,147,197)(H2,148,198)(H,149,153)(H,150,154)(H,155,181)(H,156,182)(H,157,203)(H,158,204)(H,159,217)(H,160,218)(H,161,201)(H,162,202)(H,163,209)(H,164,210)(H,165,199)(H,166,200)(H,167,205)(H,168,206)(H,169,215)(H,170,216)(H,171,211)(H,172,212)(H,173,219)(H,174,220)(H,175,207)(H,176,208)(H,177,213)(H,178,214)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)/t75-,76-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,119+,120+,121+,122+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.140n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519315
PNG
(CHEMBL4449923)
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](CC1CCCC1)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(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](CC1CCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C148H194N32O42S4/c1-75(2)123(147(221)161-97(47-49-223-7)129(203)163-99(125(149)199)51-83-35-39-89(185)40-36-83)179-141(215)107(59-87-67-151-73-155-87)171-145(219)115(177-135(209)105(57-85-65-153-93-33-21-19-31-91(85)93)169-133(207)103(53-79-23-11-9-12-24-79)165-127(201)95(43-45-117(187)188)159-131(205)101(55-81-27-15-16-28-81)167-137(211)109(61-119(191)192)173-139(213)111(63-121(195)196)175-143(217)113(69-181)157-77(5)183)71-225-226-72-116(146(220)172-108(60-88-68-152-74-156-88)142(216)180-124(76(3)4)148(222)162-98(48-50-224-8)130(204)164-100(126(150)200)52-84-37-41-90(186)42-38-84)178-136(210)106(58-86-66-154-94-34-22-20-32-92(86)94)170-134(208)104(54-80-25-13-10-14-26-80)166-128(202)96(44-46-118(189)190)160-132(206)102(56-82-29-17-18-30-82)168-138(212)110(62-120(193)194)174-140(214)112(64-122(197)198)176-144(218)114(70-182)158-78(6)184/h9-14,19-26,31-42,65-68,73-76,81-82,95-116,123-124,153-154,181-182,185-186H,15-18,27-30,43-64,69-72H2,1-8H3,(H2,149,199)(H2,150,200)(H,151,155)(H,152,156)(H,157,183)(H,158,184)(H,159,205)(H,160,206)(H,161,221)(H,162,222)(H,163,203)(H,164,204)(H,165,201)(H,166,202)(H,167,211)(H,168,212)(H,169,207)(H,170,208)(H,171,219)(H,172,220)(H,173,213)(H,174,214)(H,175,217)(H,176,218)(H,177,209)(H,178,210)(H,179,215)(H,180,216)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,123-,124-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519318
PNG
(CHEMBL4573592)
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](Cc1ccc(Cl)cc1)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(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](Cc1ccc(Cl)cc1)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(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C144H188Cl2N32O42S4/c1-69(2)45-97(163-133(209)105(55-115(189)190)171-135(211)107(57-117(193)194)173-139(215)109(63-179)155-73(9)181)127(203)157-91(37-39-113(185)186)123(199)165-99(49-75-21-29-81(145)30-22-75)129(205)167-101(51-79-59-151-89-19-15-13-17-87(79)89)131(207)175-111(141(217)169-103(53-83-61-149-67-153-83)137(213)177-119(71(5)6)143(219)159-93(41-43-221-11)125(201)161-95(121(147)197)47-77-25-33-85(183)34-26-77)65-223-224-66-112(142(218)170-104(54-84-62-150-68-154-84)138(214)178-120(72(7)8)144(220)160-94(42-44-222-12)126(202)162-96(122(148)198)48-78-27-35-86(184)36-28-78)176-132(208)102(52-80-60-152-90-20-16-14-18-88(80)90)168-130(206)100(50-76-23-31-82(146)32-24-76)166-124(200)92(38-40-114(187)188)158-128(204)98(46-70(3)4)164-134(210)106(56-116(191)192)172-136(212)108(58-118(195)196)174-140(216)110(64-180)156-74(10)182/h13-36,59-62,67-72,91-112,119-120,151-152,179-180,183-184H,37-58,63-66H2,1-12H3,(H2,147,197)(H2,148,198)(H,149,153)(H,150,154)(H,155,181)(H,156,182)(H,157,203)(H,158,204)(H,159,219)(H,160,220)(H,161,201)(H,162,202)(H,163,209)(H,164,210)(H,165,199)(H,166,200)(H,167,205)(H,168,206)(H,169,217)(H,170,218)(H,171,211)(H,172,212)(H,173,215)(H,174,216)(H,175,207)(H,176,208)(H,177,213)(H,178,214)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519321
PNG
(CHEMBL4545946)
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](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(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](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(C)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C146H194N32O42S4/c1-13-75(7)121(145(219)159-95(45-47-221-11)127(201)161-97(123(147)197)51-81-33-37-87(183)38-34-81)177-139(213)105(57-85-65-149-71-153-85)169-143(217)113(175-133(207)103(55-83-63-151-91-31-23-21-29-89(83)91)167-131(205)101(53-79-25-17-15-18-26-79)165-125(199)93(41-43-115(185)186)157-129(203)99(49-73(3)4)163-135(209)107(59-117(189)190)171-137(211)109(61-119(193)194)173-141(215)111(67-179)155-77(9)181)69-223-224-70-114(144(218)170-106(58-86-66-150-72-154-86)140(214)178-122(76(8)14-2)146(220)160-96(46-48-222-12)128(202)162-98(124(148)198)52-82-35-39-88(184)40-36-82)176-134(208)104(56-84-64-152-92-32-24-22-30-90(84)92)168-132(206)102(54-80-27-19-16-20-28-80)166-126(200)94(42-44-116(187)188)158-130(204)100(50-74(5)6)164-136(210)108(60-118(191)192)172-138(212)110(62-120(195)196)174-142(216)112(68-180)156-78(10)182/h15-40,63-66,71-76,93-114,121-122,151-152,179-180,183-184H,13-14,41-62,67-70H2,1-12H3,(H2,147,197)(H2,148,198)(H,149,153)(H,150,154)(H,155,181)(H,156,182)(H,157,203)(H,158,204)(H,159,219)(H,160,220)(H,161,201)(H,162,202)(H,163,209)(H,164,210)(H,165,199)(H,166,200)(H,167,205)(H,168,206)(H,169,217)(H,170,218)(H,171,211)(H,172,212)(H,173,215)(H,174,216)(H,175,207)(H,176,208)(H,177,213)(H,178,214)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)/t75-,76-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.180n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519326
PNG
(CHEMBL4445803)
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(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(cc1)C(F)(F)F)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(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(N)=O |r|
Show InChI InChI=1S/C146H188F6N32O40S4/c1-71(2)47-97(169-133(213)105(57-115(193)194)177-135(215)107(59-117(197)198)179-139(219)109(65-185)161-75(9)187)127(207)163-91(39-41-113(189)190)123(203)171-99(51-77-23-15-13-16-24-77)129(209)173-101(53-81-61-157-89-29-21-19-27-87(81)89)131(211)181-111(141(221)175-103(55-85-63-155-69-159-85)137(217)183-119(73(5)6)143(223)165-93(43-45-225-11)125(205)167-95(121(153)201)49-79-31-35-83(36-32-79)145(147,148)149)67-227-228-68-112(142(222)176-104(56-86-64-156-70-160-86)138(218)184-120(74(7)8)144(224)166-94(44-46-226-12)126(206)168-96(122(154)202)50-80-33-37-84(38-34-80)146(150,151)152)182-132(212)102(54-82-62-158-90-30-22-20-28-88(82)90)174-130(210)100(52-78-25-17-14-18-26-78)172-124(204)92(40-42-114(191)192)164-128(208)98(48-72(3)4)170-134(214)106(58-116(195)196)178-136(216)108(60-118(199)200)180-140(220)110(66-186)162-76(10)188/h13-38,61-64,69-74,91-112,119-120,157-158,185-186H,39-60,65-68H2,1-12H3,(H2,153,201)(H2,154,202)(H,155,159)(H,156,160)(H,161,187)(H,162,188)(H,163,207)(H,164,208)(H,165,223)(H,166,224)(H,167,205)(H,168,206)(H,169,213)(H,170,214)(H,171,203)(H,172,204)(H,173,209)(H,174,210)(H,175,221)(H,176,222)(H,177,215)(H,178,216)(H,179,219)(H,180,220)(H,181,211)(H,182,212)(H,183,217)(H,184,218)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 13n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519329
PNG
(CHEMBL4449647)
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](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](CO)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](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](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C146H200N34O38S4/c1-75(2)51-101(165-135(207)109(61-117(187)188)173-137(209)111(63-119(191)192)175-141(213)113(69-181)157-79(9)183)129(201)159-95(35-23-25-47-147)125(197)167-103(55-81-27-15-13-16-28-81)131(203)169-105(57-85-65-153-93-33-21-19-31-91(85)93)133(205)177-115(143(215)171-107(59-87-67-151-73-155-87)139(211)179-121(77(5)6)145(217)161-97(45-49-219-11)127(199)163-99(123(149)195)53-83-37-41-89(185)42-38-83)71-221-222-72-116(144(216)172-108(60-88-68-152-74-156-88)140(212)180-122(78(7)8)146(218)162-98(46-50-220-12)128(200)164-100(124(150)196)54-84-39-43-90(186)44-40-84)178-134(206)106(58-86-66-154-94-34-22-20-32-92(86)94)170-132(204)104(56-82-29-17-14-18-30-82)168-126(198)96(36-24-26-48-148)160-130(202)102(52-76(3)4)166-136(208)110(62-118(189)190)174-138(210)112(64-120(193)194)176-142(214)114(70-182)158-80(10)184/h13-22,27-34,37-44,65-68,73-78,95-116,121-122,153-154,181-182,185-186H,23-26,35-36,45-64,69-72,147-148H2,1-12H3,(H2,149,195)(H2,150,196)(H,151,155)(H,152,156)(H,157,183)(H,158,184)(H,159,201)(H,160,202)(H,161,217)(H,162,218)(H,163,199)(H,164,200)(H,165,207)(H,166,208)(H,167,197)(H,168,198)(H,169,203)(H,170,204)(H,171,215)(H,172,216)(H,173,209)(H,174,210)(H,175,213)(H,176,214)(H,177,205)(H,178,206)(H,179,211)(H,180,212)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,121-,122-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.157n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
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/an/a 0.0450n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519311
PNG
(CHEMBL4457007)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC1CCCC1)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(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCC1)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(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C150H198N32O42S4/c1-77(2)51-103(167-143(217)113(63-123(193)194)177-145(219)115(65-125(197)198)179-147(221)117(71-183)159-79(5)185)133(207)161-97(43-45-121(189)190)129(203)169-107(55-81-23-11-9-12-24-81)137(211)173-109(59-87-67-155-95-33-21-19-31-93(87)95)139(213)181-119(149(223)175-111(61-89-69-153-75-157-89)141(215)171-105(57-83-27-15-16-28-83)135(209)163-99(47-49-225-7)131(205)165-101(127(151)201)53-85-35-39-91(187)40-36-85)73-227-228-74-120(150(224)176-112(62-90-70-154-76-158-90)142(216)172-106(58-84-29-17-18-30-84)136(210)164-100(48-50-226-8)132(206)166-102(128(152)202)54-86-37-41-92(188)42-38-86)182-140(214)110(60-88-68-156-96-34-22-20-32-94(88)96)174-138(212)108(56-82-25-13-10-14-26-82)170-130(204)98(44-46-122(191)192)162-134(208)104(52-78(3)4)168-144(218)114(64-124(195)196)178-146(220)116(66-126(199)200)180-148(222)118(72-184)160-80(6)186/h9-14,19-26,31-42,67-70,75-78,83-84,97-120,155-156,183-184,187-188H,15-18,27-30,43-66,71-74H2,1-8H3,(H2,151,201)(H2,152,202)(H,153,157)(H,154,158)(H,159,185)(H,160,186)(H,161,207)(H,162,208)(H,163,209)(H,164,210)(H,165,205)(H,166,206)(H,167,217)(H,168,218)(H,169,203)(H,170,204)(H,171,215)(H,172,216)(H,173,211)(H,174,212)(H,175,223)(H,176,224)(H,177,219)(H,178,220)(H,179,221)(H,180,222)(H,181,213)(H,182,214)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,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/an/a 15n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427852
PNG
(CHEMBL2326346)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C37H33N7O10S2/c45-36-30-9-3-5-11-32(30)38-34(25-13-17-28(18-14-25)53-55(47,48)49)43(36)22-8-2-1-7-21-42-23-27(40-41-42)24-44-35(39-33-12-6-4-10-31(33)37(44)46)26-15-19-29(20-16-26)54-56(50,51)52/h3-6,9-20,23H,1-2,7-8,21-22,24H2,(H,47,48,49)(H,50,51,52)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.80E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427853
PNG
(CHEMBL2326345)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C36H31N7O10S2/c44-35-29-8-2-4-10-31(29)37-33(24-12-16-27(17-13-24)52-54(46,47)48)42(35)21-7-1-6-20-41-22-26(39-40-41)23-43-34(38-32-11-5-3-9-30(32)36(43)45)25-14-18-28(19-15-25)53-55(49,50)51/h2-5,8-19,22H,1,6-7,20-21,23H2,(H,46,47,48)(H,49,50,51)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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UniChem

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Article
PubMed
n/an/an/a 3.70E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427854
PNG
(CHEMBL2326344)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1cn(CCCCn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-10-1-3-12-30(28)37-33(24-8-7-9-27(20-24)52-54(48,49)50)41(34)19-6-5-18-40-21-25(38-39-40)22-42-32(36-31-13-4-2-11-29(31)35(42)44)23-14-16-26(17-15-23)51-53(45,46)47/h1-4,7-17,20-21H,5-6,18-19,22H2,(H,45,46,47)(H,48,49,50)
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n/an/an/a 9.10E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM50427855
PNG
(CHEMBL2326343)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-7-1-3-9-30(28)36-32(23-11-15-26(16-12-23)51-53(45,46)47)41(34)20-6-5-19-40-21-25(38-39-40)22-42-33(37-31-10-4-2-8-29(31)35(42)44)24-13-17-27(18-14-24)52-54(48,49)50/h1-4,7-18,21H,5-6,19-20,22H2,(H,45,46,47)(H,48,49,50)
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n/an/an/a 8.40E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Frizzled-7


(Homo sapiens)
BDBM50519306
PNG
(CHEMBL4454406)
Show SMILES CCC(CC)[C@H](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](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[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](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(C)=O)C(CC)CC)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)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 |r|
Show InChI InChI=1S/C146H194N32O42S4/c1-13-81(14-2)121(177-137(211)107(61-117(193)194)169-133(207)105(59-115(189)190)171-139(213)109(67-179)155-75(9)181)145(219)157-93(43-45-113(185)186)125(199)163-99(53-77-27-19-17-20-28-77)129(203)165-101(55-83-63-151-91-33-25-23-31-89(83)91)131(205)173-111(141(215)167-103(57-85-65-149-71-153-85)135(209)175-119(73(5)6)143(217)159-95(47-49-221-11)127(201)161-97(123(147)197)51-79-35-39-87(183)40-36-79)69-223-224-70-112(142(216)168-104(58-86-66-150-72-154-86)136(210)176-120(74(7)8)144(218)160-96(48-50-222-12)128(202)162-98(124(148)198)52-80-37-41-88(184)42-38-80)174-132(206)102(56-84-64-152-92-34-26-24-32-90(84)92)166-130(204)100(54-78-29-21-18-22-30-78)164-126(200)94(44-46-114(187)188)158-146(220)122(82(15-3)16-4)178-138(212)108(62-118(195)196)170-134(208)106(60-116(191)192)172-140(214)110(68-180)156-76(10)182/h17-42,63-66,71-74,81-82,93-112,119-122,151-152,179-180,183-184H,13-16,43-62,67-70H2,1-12H3,(H2,147,197)(H2,148,198)(H,149,153)(H,150,154)(H,155,181)(H,156,182)(H,157,219)(H,158,220)(H,159,217)(H,160,218)(H,161,201)(H,162,202)(H,163,199)(H,164,200)(H,165,203)(H,166,204)(H,167,215)(H,168,216)(H,169,207)(H,170,208)(H,171,213)(H,172,214)(H,173,205)(H,174,206)(H,175,209)(H,176,210)(H,177,211)(H,178,212)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-,121-,122-/m0/s1
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n/an/an/a 3.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519307
PNG
(CHEMBL4582327)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC(C)(C)C)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(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC(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(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C148H198N32O42S4/c1-75(2)49-99(165-137(213)107(59-119(191)192)173-139(215)109(61-121(195)196)175-143(219)113(69-181)157-77(5)183)129(205)159-93(41-43-117(187)188)125(201)167-101(53-79-25-17-15-18-26-79)131(207)169-103(55-83-65-153-91-31-23-21-29-89(83)91)133(209)179-115(145(221)171-105(57-85-67-151-73-155-85)135(211)177-111(63-147(7,8)9)141(217)161-95(45-47-223-13)127(203)163-97(123(149)199)51-81-33-37-87(185)38-34-81)71-225-226-72-116(146(222)172-106(58-86-68-152-74-156-86)136(212)178-112(64-148(10,11)12)142(218)162-96(46-48-224-14)128(204)164-98(124(150)200)52-82-35-39-88(186)40-36-82)180-134(210)104(56-84-66-154-92-32-24-22-30-90(84)92)170-132(208)102(54-80-27-19-16-20-28-80)168-126(202)94(42-44-118(189)190)160-130(206)100(50-76(3)4)166-138(214)108(60-120(193)194)174-140(216)110(62-122(197)198)176-144(220)114(70-182)158-78(6)184/h15-40,65-68,73-76,93-116,153-154,181-182,185-186H,41-64,69-72H2,1-14H3,(H2,149,199)(H2,150,200)(H,151,155)(H,152,156)(H,157,183)(H,158,184)(H,159,205)(H,160,206)(H,161,217)(H,162,218)(H,163,203)(H,164,204)(H,165,213)(H,166,214)(H,167,201)(H,168,202)(H,169,207)(H,170,208)(H,171,221)(H,172,222)(H,173,215)(H,174,216)(H,175,219)(H,176,220)(H,177,211)(H,178,212)(H,179,209)(H,180,210)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112+,113-,114-,115-,116-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.320n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519309
PNG
(CHEMBL4444797)
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](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](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](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/C146H192Cl2N32O42S4/c1-13-73(7)121(145(221)161-95(41-43-223-11)127(203)163-97(123(149)199)49-77-29-33-87(185)34-30-77)179-139(215)105(55-85-63-151-69-155-85)171-143(219)113(177-133(209)103(53-81-61-153-91-27-17-15-25-89(81)91)169-131(207)101(51-79-21-19-23-83(147)47-79)167-125(201)93(37-39-115(187)188)159-129(205)99(45-71(3)4)165-135(211)107(57-117(191)192)173-137(213)109(59-119(195)196)175-141(217)111(65-181)157-75(9)183)67-225-226-68-114(144(220)172-106(56-86-64-152-70-156-86)140(216)180-122(74(8)14-2)146(222)162-96(42-44-224-12)128(204)164-98(124(150)200)50-78-31-35-88(186)36-32-78)178-134(210)104(54-82-62-154-92-28-18-16-26-90(82)92)170-132(208)102(52-80-22-20-24-84(148)48-80)168-126(202)94(38-40-116(189)190)160-130(206)100(46-72(5)6)166-136(212)108(58-118(193)194)174-138(214)110(60-120(197)198)176-142(218)112(66-182)158-76(10)184/h15-36,47-48,61-64,69-74,93-114,121-122,153-154,181-182,185-186H,13-14,37-46,49-60,65-68H2,1-12H3,(H2,149,199)(H2,150,200)(H,151,155)(H,152,156)(H,157,183)(H,158,184)(H,159,205)(H,160,206)(H,161,221)(H,162,222)(H,163,203)(H,164,204)(H,165,211)(H,166,212)(H,167,201)(H,168,202)(H,169,207)(H,170,208)(H,171,219)(H,172,220)(H,173,213)(H,174,214)(H,175,217)(H,176,218)(H,177,209)(H,178,210)(H,179,215)(H,180,216)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)/t73-,74-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,121-,122-/m0/s1
PDB
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UniChem
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n/an/an/a 0.0830n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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-1


(Homo sapiens)
BDBM50519310
PNG
(CHEMBL4445160)
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(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(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C144H190N32O42S4/c1-71(2)47-97(161-133(207)105(57-115(187)188)169-135(209)107(59-117(191)192)171-139(213)109(65-177)153-75(9)179)127(201)155-91(39-41-113(183)184)123(197)163-99(51-77-23-15-13-16-24-77)129(203)165-101(53-81-61-149-89-29-21-19-27-87(81)89)131(205)173-111(141(215)167-103(55-83-63-147-69-151-83)137(211)175-119(73(5)6)143(217)157-93(43-45-219-11)125(199)159-95(121(145)195)49-79-31-35-85(181)36-32-79)67-221-222-68-112(142(216)168-104(56-84-64-148-70-152-84)138(212)176-120(74(7)8)144(218)158-94(44-46-220-12)126(200)160-96(122(146)196)50-80-33-37-86(182)38-34-80)174-132(206)102(54-82-62-150-90-30-22-20-28-88(82)90)166-130(204)100(52-78-25-17-14-18-26-78)164-124(198)92(40-42-114(185)186)156-128(202)98(48-72(3)4)162-134(208)106(58-116(189)190)170-136(210)108(60-118(193)194)172-140(214)110(66-178)154-76(10)180/h13-38,61-64,69-74,91-112,119-120,149-150,177-178,181-182H,39-60,65-68H2,1-12H3,(H2,145,195)(H2,146,196)(H,147,151)(H,148,152)(H,153,179)(H,154,180)(H,155,201)(H,156,202)(H,157,217)(H,158,218)(H,159,199)(H,160,200)(H,161,207)(H,162,208)(H,163,197)(H,164,198)(H,165,203)(H,166,204)(H,167,215)(H,168,216)(H,169,209)(H,170,210)(H,171,213)(H,172,214)(H,173,205)(H,174,206)(H,175,211)(H,176,212)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/t91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,119-,120-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/an/a 1.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-1 (Gln73 to His253 residues)/human IgG1 chimeric protein expressed in mouse NS0 cells by SPR 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)
BDBM50519311
PNG
(CHEMBL4457007)
Show SMILES CSCC[C@H](NC(=O)[C@@H](CC1CCCC1)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(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCC1)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(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C150H198N32O42S4/c1-77(2)51-103(167-143(217)113(63-123(193)194)177-145(219)115(65-125(197)198)179-147(221)117(71-183)159-79(5)185)133(207)161-97(43-45-121(189)190)129(203)169-107(55-81-23-11-9-12-24-81)137(211)173-109(59-87-67-155-95-33-21-19-31-93(87)95)139(213)181-119(149(223)175-111(61-89-69-153-75-157-89)141(215)171-105(57-83-27-15-16-28-83)135(209)163-99(47-49-225-7)131(205)165-101(127(151)201)53-85-35-39-91(187)40-36-85)73-227-228-74-120(150(224)176-112(62-90-70-154-76-158-90)142(216)172-106(58-84-29-17-18-30-84)136(210)164-100(48-50-226-8)132(206)166-102(128(152)202)54-86-37-41-92(188)42-38-86)182-140(214)110(60-88-68-156-96-34-22-20-32-94(88)96)174-138(212)108(56-82-25-13-10-14-26-82)170-130(204)98(44-46-122(191)192)162-134(208)104(52-78(3)4)168-144(218)114(64-124(195)196)178-146(220)116(66-126(199)200)180-148(222)118(72-184)160-80(6)186/h9-14,19-26,31-42,67-70,75-78,83-84,97-120,155-156,183-184,187-188H,15-18,27-30,43-66,71-74H2,1-8H3,(H2,151,201)(H2,152,202)(H,153,157)(H,154,158)(H,159,185)(H,160,186)(H,161,207)(H,162,208)(H,163,209)(H,164,210)(H,165,205)(H,166,206)(H,167,217)(H,168,218)(H,169,203)(H,170,204)(H,171,215)(H,172,216)(H,173,211)(H,174,212)(H,175,223)(H,176,224)(H,177,219)(H,178,220)(H,179,221)(H,180,222)(H,181,213)(H,182,214)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,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/an/a 44n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells assessed as dissociati...


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/an/a 1.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells by SPR 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)
BDBM50519312
PNG
(CHEMBL4452638)
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](NC(C)=O)[C@@H](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](NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1S/C146H194N32O42S4/c1-71(2)49-99(163-135(209)107(59-115(189)190)171-137(211)109(61-117(193)194)173-145(219)121(75(9)179)155-77(11)181)129(203)157-93(41-43-113(185)186)125(199)165-101(53-79-25-17-15-18-26-79)131(205)167-103(55-83-63-151-91-31-23-21-29-89(83)91)133(207)175-111(141(215)169-105(57-85-65-149-69-153-85)139(213)177-119(73(5)6)143(217)159-95(45-47-221-13)127(201)161-97(123(147)197)51-81-33-37-87(183)38-34-81)67-223-224-68-112(142(216)170-106(58-86-66-150-70-154-86)140(214)178-120(74(7)8)144(218)160-96(46-48-222-14)128(202)162-98(124(148)198)52-82-35-39-88(184)40-36-82)176-134(208)104(56-84-64-152-92-32-24-22-30-90(84)92)168-132(206)102(54-80-27-19-16-20-28-80)166-126(200)94(42-44-114(187)188)158-130(204)100(50-72(3)4)164-136(210)108(60-116(191)192)172-138(212)110(62-118(195)196)174-146(220)122(76(10)180)156-78(12)182/h15-40,63-66,69-76,93-112,119-122,151-152,179-180,183-184H,41-62,67-68H2,1-14H3,(H2,147,197)(H2,148,198)(H,149,153)(H,150,154)(H,155,181)(H,156,182)(H,157,203)(H,158,204)(H,159,217)(H,160,218)(H,161,201)(H,162,202)(H,163,209)(H,164,210)(H,165,199)(H,166,200)(H,167,205)(H,168,206)(H,169,215)(H,170,216)(H,171,211)(H,172,212)(H,173,219)(H,174,220)(H,175,207)(H,176,208)(H,177,213)(H,178,214)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)/t75-,76-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,119+,120+,121+,122+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 0.720n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells assessed as dissociati...


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/an/a 5.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Frizzled-7 (Gln33 to Leu185 residues)/human IgG1 chimeric protein expressed in CHO cells assessed as dissociati...


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
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