Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenomatous polyposis coli protein' and Ligand = 'BDBM50407464'   

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
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
					More data for this Ligand-Target Pair
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		n/a	n/a	7.97E+3	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
					More data for this Ligand-Target Pair