Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Complement factor D' and Ligand = 'BDBM50332722'   

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
Complement factor D (Homo sapiens (Human))	BDBM50332722 (CHEMBL4171835) Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1cccc(CN)c1)C(=O)N[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C29H33N3O2/c1-19(2)13-28(33)31-25-16-23(22-10-5-7-20(14-22)18-30)15-24(17-25)29(34)32-27-12-6-9-21-8-3-4-11-26(21)27/h3-5,7-8,10-11,14-17,19,27H,6,9,12-13,18,30H2,1-2H3,(H,31,33)(H,32,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant complement factor D catalytic domain (unknown origin) using Z-Lys-thiobenzyl as substrate pretreated for 1 hr followed by s...				ACS Med Chem Lett 9: 490-495 (2018) Article DOI: 10.1021/acsmedchemlett.8b00104 BindingDB Entry DOI: 10.7270/Q2K35X6P
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50332722 (CHEMBL4171835) Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1cccc(CN)c1)C(=O)N[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C29H33N3O2/c1-19(2)13-28(33)31-25-16-23(22-10-5-7-20(14-22)18-30)15-24(17-25)29(34)32-27-12-6-9-21-8-3-4-11-26(21)27/h3-5,7-8,10-11,14-17,19,27H,6,9,12-13,18,30H2,1-2H3,(H,31,33)(H,32,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of complement factor D (unknown origin) by ELISA				ACS Med Chem Lett 9: 490-495 (2018) Article DOI: 10.1021/acsmedchemlett.8b00104 BindingDB Entry DOI: 10.7270/Q2K35X6P
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50332722 (CHEMBL4171835) Show SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1cccc(CN)c1)C(=O)N[C@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C29H33N3O2/c1-19(2)13-28(33)31-25-16-23(22-10-5-7-20(14-22)18-30)15-24(17-25)29(34)32-27-12-6-9-21-8-3-4-11-26(21)27/h3-5,7-8,10-11,14-17,19,27H,6,9,12-13,18,30H2,1-2H3,(H,31,33)(H,32,34)/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Displacement of 19F[(S)-methyl 2-((2-(3-(trifluoromethoxy)phenylcarbamoyl)pyrrolidine-1-carboxamido)methyl)benzoate] from complement factor D (unknow...				ACS Med Chem Lett 9: 490-495 (2018) Article DOI: 10.1021/acsmedchemlett.8b00104 BindingDB Entry DOI: 10.7270/Q2K35X6P
					More data for this Ligand-Target Pair