Found 2 hits Enz. Inhib. hit(s) with Target = 'Frizzled-7' and Ligand = 'BDBM50519309' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Frizzled-7
(Homo sapiens) | BDBM50519309
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/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) | BDBM50519309
(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
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0830 | n/a | n/a | n/a | n/a | n/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 | |
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