Found 2 hits Enz. Inhib. hit(s) with Target = 'Frizzled-7' and Ligand = 'BDBM50519329' 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) | BDBM50519329
(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/a | n/a | n/a | 0.157 | 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 | |
Frizzled-7
(Homo sapiens) | BDBM50519329
(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/a | n/a | n/a | 1.30 | 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 | |
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