Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Frizzled-1' and Ligand = 'BDBM50519310'   

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-1 (Homo sapiens)	BDBM50519310 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/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