Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Complement factor D [24-253]'   

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 [24-253] (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 Show InChI InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171272 (1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...) Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171350 (1-(2-((1R,3S,5R)-3-((6-Bromopyridin-2-yl)carbamoyl...) Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccccc12 Show InChI InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.4	4
Novartis Pharma AG					Assay Description Recombinant human FD (10 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in 0.1 M PBS (pH 7.4) ...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171272 (1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...) Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	4
Novartis Pharma AG					Assay Description Recombinant human FD (10 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in 0.1 M PBS (pH 7.4) ...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Mus musculus (Mouse))	BDBM171272 (1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...) Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair
Complement factor D [24-253] (Homo sapiens (Human))	BDBM203868 ((S)-N2-benzhydryl-N1-(1-methyl-1H-indol-3-yl)pyrro...) Show SMILES Cn1cc(NC(=O)N2CCC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc12 |r| Show InChI InChI=1S/C28H28N4O2/c1-31-19-23(22-15-8-9-16-24(22)31)29-28(34)32-18-10-17-25(32)27(33)30-26(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-9,11-16,19,25-26H,10,17-18H2,1H3,(H,29,34)(H,30,33)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair
Complement factor D [24-253] (Homo sapiens (Human))	BDBM203865 (Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...) Show SMILES COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM203864 ((S)-N2-(4-methoxyphenethyl)-N1-(naphthalen-1-ylmet...) Show SMILES COc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)NCc2cccc3ccccc23)cc1 |r| Show InChI InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair
Complement factor D [24-253] (Homo sapiens (Human))	BDBM203865 (Methyl (S)-2-((2-((3-(trifluoromethoxy)phenyl)carb...) Show SMILES COC(=O)c1ccccc1CNC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C22H22F3N3O5/c1-32-20(30)17-9-3-2-6-14(17)13-26-21(31)28-11-5-10-18(28)19(29)27-15-7-4-8-16(12-15)33-22(23,24)25/h2-4,6-9,12,18H,5,10-11,13H2,1H3,(H,26,31)(H,27,29)/t18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	7.4	4
Novartis Pharma AG					Assay Description Recombinant human FD (10 nM concentration) was incubated with compound at various concentrations for 1 h at room temperature in 0.1 M PBS (pH 7.4) ...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM203867 (3-(((2-Carbamoyl-1H-indol-5-yl)oxy)methyl)benzoic ...) Show SMILES NC(=O)c1cc2cc(OCc3cccc(c3)C(O)=O)ccc2[nH]1 Show InChI InChI=1S/C17H14N2O4/c18-16(20)15-8-12-7-13(4-5-14(12)19-15)23-9-10-2-1-3-11(6-10)17(21)22/h1-8,19H,9H2,(H2,18,20)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	7.5	25
Novartis Pharma AG					Assay Description Briefly, recombinant human or murine FD catalytic domain (10 nM concentration) were incubated with compound at various concentrations for 1 h at room...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171272 (1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...) Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.55	n/a	n/a	n/a	7.4	25
Novartis Pharma AG					Assay Description Standard kinetics: an independent association-dissociation cycle was run for each concentration by injecting compound solution and waiting for dissoc...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Complement factor D [24-253] (Homo sapiens (Human))	BDBM171272 (1-(2-((1R,3S,5R)-3-(((R)-1-(3-Chloro-2-fluoropheny...) Show SMILES C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccncc12)c1cccc(Cl)c1F |r| Show InChI InChI=1S/C23H22ClFN6O3/c1-11(13-3-2-4-15(24)20(13)25)28-23(34)17-8-12-7-16(12)31(17)19(32)10-30-18-9-27-6-5-14(18)21(29-30)22(26)33/h2-6,9,11-12,16-17H,7-8,10H2,1H3,(H2,26,33)(H,28,34)/t11-,12-,16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	6.03	n/a	n/a	n/a	7.4	25
Novartis Pharma AG					Assay Description Single cycle kinetics (SCK): five increasing concentrations were injected successively without allowing for the dissociation of the protein-ligand co...				Nat Chem Biol 12: 1105-1110 (2016) Article DOI: 10.1038/nchembio.2208 BindingDB Entry DOI: 10.7270/Q2KD1WR1
					More data for this Ligand-Target Pair				3D Structure (crystal)