Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein AF-9' and Ligand = 'BDBM50459723'   

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
Protein AF-9 (Homo sapiens)	BDBM50459723 (CHEMBL4218308) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C44H70N8O9/c1-10-28(6)37(44(61)52-21-15-19-36(52)41(58)47-32(22-26(2)3)42(59)50(8)9)49-39(56)34(25-53)48-38(55)31(24-30-16-12-11-13-17-30)46-40(57)35-18-14-20-51(35)43(60)33(23-27(4)5)45-29(7)54/h11-13,16-17,26-28,31-37,53H,10,14-15,18-25H2,1-9H3,(H,45,54)(H,46,57)(H,47,58)(H,48,55)(H,49,56)/t28-,31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of N-Flu-DOT1L from MBP-tagged AF9 (unknown origin) (487 to 568 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs b...				ACS Med Chem Lett 9: 895-900 (2018) Article DOI: 10.1021/acsmedchemlett.8b00175 BindingDB Entry DOI: 10.7270/Q2DV1NHX
					More data for this Ligand-Target Pair
Protein AF-9 (Homo sapiens)	BDBM50459723 (CHEMBL4218308) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)C |r| Show InChI InChI=1S/C44H70N8O9/c1-10-28(6)37(44(61)52-21-15-19-36(52)41(58)47-32(22-26(2)3)42(59)50(8)9)49-39(56)34(25-53)48-38(55)31(24-30-16-12-11-13-17-30)46-40(57)35-18-14-20-51(35)43(60)33(23-27(4)5)45-29(7)54/h11-13,16-17,26-28,31-37,53H,10,14-15,18-25H2,1-9H3,(H,45,54)(H,46,57)(H,47,58)(H,48,55)(H,49,56)/t28-,31-,32-,33-,34-,35-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of N-Flu-DOT1L from MBP-tagged AF9 (unknown origin) (487 to 568 residues) expressed in Escherichia coli BL21(DE3) measured after 3 hrs b...				ACS Med Chem Lett 9: 895-900 (2018) Article DOI: 10.1021/acsmedchemlett.8b00175 BindingDB Entry DOI: 10.7270/Q2DV1NHX
					More data for this Ligand-Target Pair