Compile Data Set for Download or QSAR

Found 7 hits of ki data for complexid = 50003603   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM50094484 (CHEBI:3556 | CHEMBL2323033 | US9284299, CGP049090 ...) Show SMILES COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O |r| Show InChI InChI=1S/C27H29NO3/c29-26(27(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24)31-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25,30H,16-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	1.17E+4	-6.72	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM213748 (US9284299, PKF115-584 | US9738628, Compound PKF115...) Show SMILES COc1cc(O)c2c3c1c1c(OC)cc(O)c4c1c(c(C[C@@H](C)OC(=O)c1ccccc1)c(OC)c4=O)c3c(C[C@@H](C)OC(=O)Oc1ccc(O)cc1)c(OC)c2=O |r| Show InChI InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45-47H,16-17H2,1-6H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	1.30E+4	-6.66	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM32102 (1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...) Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	US Patent	1.33E+4	-6.65	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM50094484 (CHEBI:3556 | CHEMBL2323033 | US9284299, CGP049090 ...) Show SMILES COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5OCOc6cc(O)c(c2c6c5c34)c1=O |r| Show InChI InChI=1S/C27H29NO3/c29-26(27(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24)31-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25,30H,16-21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	US Patent	1.44E+4	-6.60	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM32102 (1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...) Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	US Patent	1.99E+4	-6.41	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM213761 (US9284299, 12 | US9738628, Compound 12) Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12 Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.04E+5	-5.43	n/a	n/a	n/a	n/a	n/a	n/a	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in 96-well Microfluor 2 black plates (Waltham, Mass.), and the samples were read by a Synergy 2 plate reader (Biotek, Wino...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair
Cadherin-1 [819-873]/Catenin beta-1 [138-686] (Homo sapiens (Human))	BDBM213761 (US9284299, 12 | US9738628, Compound 12) Show SMILES On1nnc2cc(CCc3nn[nH]n3)ccc12 Show InChI InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.05E+5	-5.42	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Utah Research Foundation US Patent					Assay Description Experiments were performed in white opaque 384-well plates from PerkinElmer (Waltham, Mass.), and the samples were read on a Synergy 2 plate reader (...				US Patent US9284299 (2016) BindingDB Entry DOI: 10.7270/Q2WW7GGC
					More data for this Ligand-Target Pair