Compile Data Set for Download or QSAR

Found 15 hits of ki for UniProtKB: P25054   

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
Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50407493 (CHEMBL5288446) Show SMILES COc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1OC Show InChI InChI=1S/C16H16N4O2S/c1-21-11-7-6-9(8-12(11)22-2)23-13-5-3-4-10-14(13)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Relative potency against Histamine H1 receptor in rat aorta				Citation and Details
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Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50369190 (CHEMBL4163133) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r| Show InChI InChI=1S/C43H58N8O14/c1-24(47-43(64)65-23-28-10-4-3-5-11-28)38(59)45-22-34(53)48-31(17-19-36(56)57)40(61)46-25(2)39(60)50-32(20-26-8-6-7-9-26)42(63)51-33(21-27-12-14-29(52)15-13-27)41(62)49-30(37(44)58)16-18-35(54)55/h3-5,10-15,24-26,30-33,52H,6-9,16-23H2,1-2H3,(H2,44,58)(H,45,59)(H,46,61)(H,47,64)(H,48,53)(H,49,62)(H,50,60)(H,51,63)(H,54,55)(H,56,57)/t24-,25-,30-,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50407492 (CHEMBL5280732) Show SMILES CN(C)CCO[C@H](c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Apparent pA2 value of compound at 50 nM concentration of mepyramine in rat aorta				Citation and Details
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Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50407464 (CHEMBL5289275) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C51H80N16O11S2/c1-3-28(2)41(66-45(74)34(22-29-25-59-31-13-6-5-12-30(29)31)61-40(70)24-51(80)17-7-4-8-18-51)47(76)63-33(15-10-20-58-50(56)78)43(72)64-35(23-38(52)68)44(73)65-36(27-79)48(77)67-21-11-16-37(67)46(75)62-32(14-9-19-57-49(54)55)42(71)60-26-39(53)69/h5-6,12-13,25,28,32-37,41,59,79-80H,3-4,7-11,14-24,26-27H2,1-2H3,(H2,52,68)(H2,53,69)(H,60,71)(H,61,70)(H,62,75)(H,63,76)(H,64,72)(H,65,73)(H,66,74)(H4,54,55,57)(H3,56,58,78)/t28-,32-,33+,34+,35-,36-,37+,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Apparent pA2 value of compound at 10 nM concentration of mepyramine in guinea pig ileum				Citation and Details
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Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50407467 (CHEMBL5289169) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-[#6](=O)-[#6](-[#6]P([#8])([#8])=O)-[#6](-[#8])=O Show InChI InChI=1S/C19H32NO6P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-18(21)17(19(22)23)13-27(24,25)26/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,20,21)(H,22,23)(H2,24,25,26)/b15-9+,16-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity for carbachol induced contractions in guinea pig ileum against Muscarinic acetylcholine receptor M3 in the presence of mepyrami...				Citation and Details
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Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50407491 (CHEMBL5282293) Show SMILES CN(C)CCO[C@@H](c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity for carbachol induced contractions in guinea pig ileum against Muscarinic acetylcholine receptor M3 in the presence of mepyrami...				Citation and Details
					More data for this Ligand-Target Pair
Adenomatous polyposis coli protein [1477-1519]/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	8.31E+3	-6.93	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
Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50481595 (CHEMBL5287183) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cn(CCCP(F)(=O)OC)nn1 Show InChI InChI=1S/C18H20FN4O6P/c1-27-14-4-5-16-12(8-14)9-15(18(25)29-16)17(24)20-10-13-11-23(22-21-13)6-3-7-30(19,26)28-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		4.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Adenomatous polyposis coli protein (Homo sapiens (Human))	BDBM50407461 (CHEMBL5274458) Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1(S)CCCCC1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O Show InChI InChI=1S/C50H76N14O12S2/c1-3-27(2)41(63-45(73)33(21-28-24-56-30-12-6-5-11-29(28)30)58-39(67)23-50(78)17-7-4-8-18-50)47(75)60-32(15-16-40(68)69)43(71)61-34(22-37(51)65)44(72)62-35(26-77)48(76)64-20-10-14-36(64)46(74)59-31(13-9-19-55-49(53)54)42(70)57-25-38(52)66/h5-6,11-12,24,27,31-36,41,56,77-78H,3-4,7-10,13-23,25-26H2,1-2H3,(H2,51,65)(H2,52,66)(H,57,70)(H,58,67)(H,59,74)(H,60,75)(H,61,71)(H,62,72)(H,63,73)(H,68,69)(H4,53,54,55)/t27-,31+,32+,33-,34+,35+,36-,41-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		4.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Tetsed for Antagonistic activity at histamine H3 receptor in guinea pig ileal longitudinal muscle in the presence of mepyramine at a concentration of...				Citation and Details
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Adenomatous polyposis coli protein [1477-1519]/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	5.39E+4	-5.82	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
Adenomatous polyposis coli protein [1477-1519]/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	6.25E+4	-5.73	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
Adenomatous polyposis coli protein [1477-1519]/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	6.62E+4	-5.70	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
Adenomatous polyposis coli protein [1477-1519]/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	1.71E+5	-5.14	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
Adenomatous polyposis coli protein [1477-1519]/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	1.71E+5	-5.13	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
Adenomatous polyposis coli protein [1477-1519]/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	1.76E+5	-5.12	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