Compile Data Set for Download or QSAR

Found 380 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 9564   

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))	BDBM474664 (US10849883, Compound 90d | US11559515, Compound 90...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C24H24BrClFN3O3/c1-14(2)30(12-22(32)28-10-16-5-4-6-20(26)24(16)27)23(33)13-29-11-19(15(3)31)18-9-17(25)7-8-21(18)29/h4-9,11,14H,10,12-13H2,1-3H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474669 (US10849883, Compound 95b | US11559515, Compound 95...) Show SMILES C[C@H](CCO)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C23H25ClFN5O4/c1-14(9-10-31)29(12-19(32)27-11-15-5-4-7-17(24)21(15)25)20(33)13-30-18-8-3-2-6-16(18)22(28-30)23(26)34/h2-8,14,31H,9-13H2,1H3,(H2,26,34)(H,27,32)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474671 (US10849883, Compound 97c | US11559515, Compound 97...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 Show InChI InChI=1S/C28H28ClFN6O3/c1-17(2)36(14-26(38)33-10-19-5-4-6-24(29)28(19)30)27(39)15-35-13-23(18(3)37)22-9-20(7-8-25(22)35)34-21-11-31-16-32-12-21/h4-9,11-13,16-17,34H,10,14-15H2,1-3H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474672 (US10849883, Compound 98b | US11559515, Compound 98...) Show SMILES CC(C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C24H25ClFN5O3/c1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34/h2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474673 (US10849883, Compound 99e) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C#C[Si](C)(C)C Show InChI InChI=1S/C29H33ClFN3O3Si/c1-19(2)34(17-27(36)32-15-22-8-7-9-25(30)29(22)31)28(37)18-33-16-24(20(3)35)23-14-21(10-11-26(23)33)12-13-38(4,5)6/h7-11,14,16,19H,15,17-18H2,1-6H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474674 (US10849883, Compound 100a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1ccn(C)n1 Show InChI InChI=1S/C28H29ClFN5O3/c1-17(2)35(15-26(37)31-13-20-6-5-7-23(29)28(20)30)27(38)16-34-14-22(18(3)36)21-12-19(8-9-25(21)34)24-10-11-33(4)32-24/h5-12,14,17H,13,15-16H2,1-4H3,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474675 (US10849883, Compound 101a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1cnc(nc1)N(C)C Show InChI InChI=1S/C30H32ClFN6O3/c1-18(2)38(16-27(40)33-12-21-7-6-8-25(31)29(21)32)28(41)17-37-15-24(19(3)39)23-11-20(9-10-26(23)37)22-13-34-30(35-14-22)36(4)5/h6-11,13-15,18H,12,16-17H2,1-5H3,(H,33,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474677 (US10849883, Compound 103a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 Show InChI InChI=1S/C26H26BrN7O3/c1-16(2)34(13-25(36)32-24-6-4-5-23(27)31-24)26(37)14-33-12-21(17(3)35)20-9-18(7-8-22(20)33)30-19-10-28-15-29-11-19/h4-12,15-16,30H,13-14H2,1-3H3,(H,31,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474678 (US10849883, Compound 104b | US11559515, Compound 1...) Show SMILES NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@@H]2C[C@H](O)C2)c2ccccc12 |r,wD:23.23,25.26,(23.65,2.09,;24.56,.85,;26.09,1.01,;23.93,-.56,;22.43,-.88,;22.26,-2.41,;20.93,-3.18,;19.6,-2.41,;19.6,-.87,;18.26,-3.18,;16.93,-2.41,;15.6,-3.18,;15.6,-4.72,;14.26,-2.41,;12.93,-3.18,;11.59,-2.41,;10.26,-3.18,;8.93,-2.41,;8.93,-.87,;10.26,-.1,;10.26,1.44,;11.59,-.87,;12.93,-.1,;18.26,-4.72,;19.35,-5.81,;18.26,-6.9,;18.26,-8.44,;17.17,-5.81,;23.67,-3.04,;24.15,-4.5,;25.65,-4.82,;26.68,-3.68,;26.21,-2.22,;24.7,-1.9,)| Show InChI InChI=1S/C23H23ClFN5O4/c24-17-6-3-4-13(21(17)25)10-27-19(32)11-29(14-8-15(31)9-14)20(33)12-30-18-7-2-1-5-16(18)22(28-30)23(26)34/h1-7,14-15,31H,8-12H2,(H2,26,34)(H,27,32)/t14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474679 (US10849883, Compound 105a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C29H28ClFN4O3/c1-18(2)35(16-27(37)33-14-22-6-4-8-25(30)29(22)31)28(38)17-34-15-24(19(3)36)23-12-20(9-10-26(23)34)21-7-5-11-32-13-21/h4-13,15,18H,14,16-17H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474680 (US10849883, Compound 106a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1ccnc(F)c1 Show InChI InChI=1S/C29H27ClF2N4O3/c1-17(2)36(15-27(38)34-13-21-5-4-6-24(30)29(21)32)28(39)16-35-14-23(18(3)37)22-11-19(7-8-25(22)35)20-9-10-33-26(31)12-20/h4-12,14,17H,13,15-16H2,1-3H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474681 (US10849883, Compound 107c | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)Nc1cccc(Br)n1)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cccnc3)ccc12 Show InChI InChI=1S/C27H27BrN6O3/c1-17(2)34(15-26(36)32-25-8-4-7-24(28)31-25)27(37)16-33-14-22(18(3)35)21-12-19(9-10-23(21)33)30-20-6-5-11-29-13-20/h4-14,17,30H,15-16H2,1-3H3,(H,31,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474682 (US10849883, Compound 108a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1cncnc1 Show InChI InChI=1S/C28H27ClFN5O3/c1-17(2)35(14-26(37)33-12-20-5-4-6-24(29)28(20)30)27(38)15-34-13-23(18(3)36)22-9-19(7-8-25(22)34)21-10-31-16-32-11-21/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474683 (US10849883, Compound 109a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)-c1cccc(c1)C(C)=O Show InChI InChI=1S/C32H31ClFN3O4/c1-19(2)37(17-30(40)35-15-25-9-6-10-28(33)32(25)34)31(41)18-36-16-27(21(4)39)26-14-24(11-12-29(26)36)23-8-5-7-22(13-23)20(3)38/h5-14,16,19H,15,17-18H2,1-4H3,(H,35,40)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474684 (US10849883, Compound 110b | US11559515, Compound 1...) Show SMILES NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2C[C@H](O)C2)c2ccccc12 |r,wU:25.26,wD:23.23,(23.65,2.09,;24.56,.85,;26.09,1.01,;23.93,-.56,;22.43,-.88,;22.26,-2.41,;20.93,-3.18,;19.6,-2.41,;19.6,-.87,;18.26,-3.18,;16.93,-2.41,;15.6,-3.18,;15.6,-4.72,;14.26,-2.41,;12.93,-3.18,;11.59,-2.41,;10.26,-3.18,;8.93,-2.41,;8.93,-.87,;10.26,-.1,;10.26,1.44,;11.59,-.87,;12.93,-.1,;18.26,-4.72,;17.17,-5.81,;18.26,-6.9,;18.26,-8.44,;19.35,-5.81,;23.67,-3.04,;24.15,-4.5,;25.65,-4.82,;26.68,-3.68,;26.21,-2.22,;24.7,-1.9,)| Show InChI InChI=1S/C23H23ClFN5O4/c24-17-6-3-4-13(21(17)25)10-27-19(32)11-29(14-8-15(31)9-14)20(33)12-30-18-7-2-1-5-16(18)22(28-30)23(26)34/h1-7,14-15,31H,8-12H2,(H2,26,34)(H,27,32)/t14-,15-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474685 (US10849883, Compound 111a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cccnc3)ccc12 Show InChI InChI=1S/C29H29ClFN5O3/c1-18(2)36(16-27(38)33-13-20-6-4-8-25(30)29(20)31)28(39)17-35-15-24(19(3)37)23-12-21(9-10-26(23)35)34-22-7-5-11-32-14-22/h4-12,14-15,18,34H,13,16-17H2,1-3H3,(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474686 (US10849883, Compound 112a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C#Cc1cncnc1 Show InChI InChI=1S/C30H27ClFN5O3/c1-19(2)37(16-28(39)35-14-23-5-4-6-26(31)30(23)32)29(40)17-36-15-25(20(3)38)24-11-21(9-10-27(24)36)7-8-22-12-33-18-34-13-22/h4-6,9-13,15,18-19H,14,16-17H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474687 (US10849883, Compound 113b | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2ccccc12 Show InChI InChI=1S/C24H25ClFN3O3/c1-15(2)29(13-22(31)27-11-17-7-6-9-20(25)24(17)26)23(32)14-28-12-19(16(3)30)18-8-4-5-10-21(18)28/h4-10,12,15H,11,13-14H2,1-3H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474688 (US10849883, Compound 114a | US11559515, Compound 1...) Show SMILES CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)[C@H]2C[C@H](O)C2)c2ccc(Nc3cncnc3)cc12 |r,wU:25.26,wD:23.23,(-5.58,-5.79,;-4.68,-4.55,;-5.31,-3.14,;-3.15,-4.71,;-2.12,-3.56,;-.71,-4.19,;.62,-3.42,;1.96,-4.19,;1.96,-5.73,;3.29,-3.42,;4.62,-4.19,;5.96,-3.42,;5.96,-1.88,;7.29,-4.19,;8.63,-3.42,;9.96,-4.19,;9.96,-5.73,;11.29,-6.5,;12.63,-5.73,;12.63,-4.19,;13.96,-3.42,;11.29,-3.42,;11.29,-1.88,;3.29,-1.88,;4.38,-.79,;3.29,.3,;3.29,1.84,;2.2,-.79,;-.87,-5.72,;.16,-6.87,;-.32,-8.33,;-1.82,-8.65,;-2.3,-10.12,;-3.81,-10.44,;-4.28,-11.9,;-5.79,-12.22,;-6.82,-11.08,;-6.34,-9.61,;-4.84,-9.29,;-2.85,-7.51,;-2.38,-6.04,)| Show InChI InChI=1S/C29H28ClFN6O4/c1-17(38)24-13-36(26-6-5-19(7-23(24)26)35-20-11-32-16-33-12-20)15-28(41)37(21-8-22(39)9-21)14-27(40)34-10-18-3-2-4-25(30)29(18)31/h2-7,11-13,16,21-22,35,39H,8-10,14-15H2,1H3,(H,34,40)/t21-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474689 (US10849883, Compound 115d | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)Nc1cccc(c1F)-c1ccccc1Cl)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 Show InChI InChI=1S/C33H30ClFN6O3/c1-20(2)41(17-31(43)39-29-10-6-8-25(33(29)35)24-7-4-5-9-28(24)34)32(44)18-40-16-27(21(3)42)26-13-22(11-12-30(26)40)38-23-14-36-19-37-15-23/h4-16,19-20,38H,17-18H2,1-3H3,(H,39,43)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474690 (US10849883, Compound 116a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C#Cc1ncccn1 Show InChI InChI=1S/C30H27ClFN5O3/c1-19(2)37(17-28(39)35-15-22-6-4-7-25(31)30(22)32)29(40)18-36-16-24(20(3)38)23-14-21(8-10-26(23)36)9-11-27-33-12-5-13-34-27/h4-8,10,12-14,16,19H,15,17-18H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474691 (US10849883, Compound 117e | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)Nc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 Show InChI InChI=1S/C27H26ClFN6O3/c1-16(2)35(13-25(37)33-23-6-4-5-22(28)27(23)29)26(38)14-34-12-21(17(3)36)20-9-18(7-8-24(20)34)32-19-10-30-15-31-11-19/h4-12,15-16,32H,13-14H2,1-3H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474692 (US10849883, Compound 118b | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Br)n1)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cncnc3)ccc12 Show InChI InChI=1S/C27H28BrN7O3/c1-17(2)35(14-26(37)31-12-20-5-4-6-25(28)33-20)27(38)15-34-13-23(18(3)36)22-9-19(7-8-24(22)34)32-21-10-29-16-30-11-21/h4-11,13,16-17,32H,12,14-15H2,1-3H3,(H,31,37)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474694 (US10849883, Compound 120b | US11559515, Compound 1...) Show SMILES CCCC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C24H27ClFN5O3/c1-3-7-15(2)30(13-20(32)28-12-16-8-6-10-18(25)22(16)26)21(33)14-31-19-11-5-4-9-17(19)23(29-31)24(27)34/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H2,27,34)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474695 (US10849883, Compound 121b | US11559515, Compound 1...) Show SMILES CC(C)CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C25H29ClFN5O3/c1-15(2)11-16(3)31(13-21(33)29-12-17-7-6-9-19(26)23(17)27)22(34)14-32-20-10-5-4-8-18(20)24(30-32)25(28)35/h4-10,15-16H,11-14H2,1-3H3,(H2,28,35)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474696 (US10849883, Compound 122b | US11559515, Compound 1...) Show SMILES C[C@H](C1CC1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 Show InChI InChI=1S/C24H25ClFN5O3/c1-14(15-9-10-15)30(12-20(32)28-11-16-5-4-7-18(25)22(16)26)21(33)13-31-19-8-3-2-6-17(19)23(29-31)24(27)34/h2-8,14-15H,9-13H2,1H3,(H2,27,34)(H,28,32)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474698 (US10849883, Compound 189a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C32H32ClFN4O4/c1-20(2)38(18-29(40)35-16-24-10-7-11-27(33)31(24)34)30(41)19-37-17-26(21(3)39)25-14-23(12-13-28(25)37)32(42)36-15-22-8-5-4-6-9-22/h4-14,17,20H,15-16,18-19H2,1-3H3,(H,35,40)(H,36,42)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474699 (US10849883, Compound 190a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C(=O)NCC1CC1 Show InChI InChI=1S/C29H32ClFN4O4/c1-17(2)35(15-26(37)32-13-21-5-4-6-24(30)28(21)31)27(38)16-34-14-23(18(3)36)22-11-20(9-10-25(22)34)29(39)33-12-19-7-8-19/h4-6,9-11,14,17,19H,7-8,12-13,15-16H2,1-3H3,(H,32,37)(H,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474704 (US10849883, Compound 128c | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(Nc3cccnn3)ccc12 Show InChI InChI=1S/C28H28ClFN6O3/c1-17(2)36(15-26(38)31-13-19-6-4-7-23(29)28(19)30)27(39)16-35-14-22(18(3)37)21-12-20(9-10-24(21)35)33-25-8-5-11-32-34-25/h4-12,14,17H,13,15-16H2,1-3H3,(H,31,38)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474705 (US10849883, Compound 129e | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(NC(=O)NC3CC3)ccc12 Show InChI InChI=1S/C28H31ClFN5O4/c1-16(2)35(14-25(37)31-12-18-5-4-6-23(29)27(18)30)26(38)15-34-13-22(17(3)36)21-11-20(9-10-24(21)34)33-28(39)32-19-7-8-19/h4-6,9-11,13,16,19H,7-8,12,14-15H2,1-3H3,(H,31,37)(H2,32,33,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474706 (US10849883, Compound 130a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C#Cc1ccccn1 Show InChI InChI=1S/C31H28ClFN4O3/c1-20(2)37(18-29(39)35-16-23-7-6-9-27(32)31(23)33)30(40)19-36-17-26(21(3)38)25-15-22(11-13-28(25)36)10-12-24-8-4-5-14-34-24/h4-9,11,13-15,17,20H,16,18-19H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474707 (US10849883, Compound 131a) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C=O)c2cc(ccc12)C#Cc1cccnc1 Show InChI InChI=1S/C30H26ClFN4O3/c1-20(2)36(17-28(38)34-15-23-6-3-7-26(31)30(23)32)29(39)18-35-16-24(19-37)25-13-21(10-11-27(25)35)8-9-22-5-4-12-33-14-22/h3-7,10-14,16,19-20H,15,17-18H2,1-2H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474708 (US10849883, Compound 132g) Show SMILES COC(=O)c1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C(C)C)nc(C(N)=O)c2c1 Show InChI InChI=1S/C24H25ClFN5O5/c1-13(2)30(11-19(32)28-10-15-5-4-6-17(25)21(15)26)20(33)12-31-18-8-7-14(24(35)36-3)9-16(18)22(29-31)23(27)34/h4-9,13H,10-12H2,1-3H3,(H2,27,34)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474709 (US10849883, Compound 133c | US11559515, Compound 1...) Show SMILES CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(NS(C)(=O)=O)cc12 Show InChI InChI=1S/C25H26ClFN4O5S/c1-15(32)20-12-30(22-9-6-17(10-19(20)22)29-37(2,35)36)14-24(34)31(18-7-8-18)13-23(33)28-11-16-4-3-5-21(26)25(16)27/h3-6,9-10,12,18,29H,7-8,11,13-14H2,1-2H3,(H,28,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474710 (US10849883, Compound 134a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C33H34ClFN4O4/c1-20(2)39(18-30(41)36-16-25-11-8-12-28(34)32(25)35)31(42)19-38-17-27(22(4)40)26-15-24(13-14-29(26)38)33(43)37-21(3)23-9-6-5-7-10-23/h5-15,17,20-21H,16,18-19H2,1-4H3,(H,36,41)(H,37,43)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474711 (US10849883, Compound 135a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C(=O)Nc1cncnc1 Show InChI InChI=1S/C29H28ClFN6O4/c1-17(2)37(14-26(39)34-10-20-5-4-6-24(30)28(20)31)27(40)15-36-13-23(18(3)38)22-9-19(7-8-25(22)36)29(41)35-21-11-32-16-33-12-21/h4-9,11-13,16-17H,10,14-15H2,1-3H3,(H,34,39)(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474712 (US10849883, Compound 136a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(C)=O)c2cc(ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C31H30ClFN4O4/c1-19(2)37(17-28(39)34-15-22-8-7-11-26(32)30(22)33)29(40)18-36-16-25(20(3)38)24-14-21(12-13-27(24)36)31(41)35-23-9-5-4-6-10-23/h4-14,16,19H,15,17-18H2,1-3H3,(H,34,39)(H,35,41)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474713 (US10849883, Compound 137e | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C22H22BrClFN5O3/c1-12(2)29(10-18(31)27-9-13-4-3-5-16(24)20(13)25)19(32)11-30-17-7-6-14(23)8-15(17)21(28-30)22(26)33/h3-8,12H,9-11H2,1-2H3,(H2,26,33)(H,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474717 (US10849883, Compound 141c | US11559515, Compound 1...) Show SMILES CC(C)(C)OC(=O)Cn1cc(C(N)=O)c2cc(Nc3cncnc3)ccc12 Show InChI InChI=1S/C19H21N5O3/c1-19(2,3)27-17(25)10-24-9-15(18(20)26)14-6-12(4-5-16(14)24)23-13-7-21-11-22-8-13/h4-9,11,23H,10H2,1-3H3,(H2,20,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474719 (US10849883, Compound 145b | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)Nc3ccccc3)ccc12 Show InChI InChI=1S/C29H29ClFN7O4/c1-17(2)37(15-24(39)33-14-18-7-6-10-22(30)26(18)31)25(40)16-38-23-12-11-20(13-21(23)27(36-38)28(32)41)35-29(42)34-19-8-4-3-5-9-19/h3-13,17H,14-16H2,1-2H3,(H2,32,41)(H,33,39)(H2,34,35,42)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474721 (US10849883, Compound 147b | US11559515, Compound 1...) Show SMILES CC1(CN(CC(=O)NCc2cccc(Cl)c2F)C(=O)Cn2nc(C(N)=O)c3ccccc23)COC1 Show InChI InChI=1S/C24H25ClFN5O4/c1-24(13-35-14-24)12-30(10-19(32)28-9-15-5-4-7-17(25)21(15)26)20(33)11-31-18-8-3-2-6-16(18)22(29-31)23(27)34/h2-8H,9-14H2,1H3,(H2,27,34)(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474722 (US10849883, Compound 148a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(NC(=O)N3CCCC(F)(F)C3)ccc12 Show InChI InChI=1S/C28H31ClF3N7O4/c1-16(2)38(13-22(40)34-12-17-5-3-6-20(29)24(17)30)23(41)14-39-21-8-7-18(11-19(21)25(36-39)26(33)42)35-27(43)37-10-4-9-28(31,32)15-37/h3,5-8,11,16H,4,9-10,12-15H2,1-2H3,(H2,33,42)(H,34,40)(H,35,43)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474723 (US10849883, Compound 150a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(ccc12)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H30ClFN6O4/c1-18(2)37(16-25(39)34-15-21-9-6-10-23(31)27(21)32)26(40)17-38-24-12-11-20(13-22(24)28(36-38)29(33)41)30(42)35-14-19-7-4-3-5-8-19/h3-13,18H,14-17H2,1-2H3,(H2,33,41)(H,34,39)(H,35,42)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474724 (US10849883, Compound 151a | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2cc(ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H28ClFN6O4/c1-17(2)36(15-24(38)33-14-19-7-6-10-22(30)26(19)31)25(39)16-37-23-12-11-18(13-21(23)27(35-37)28(32)40)29(41)34-20-8-4-3-5-9-20/h3-13,17H,14-16H2,1-2H3,(H2,32,40)(H,33,38)(H,34,41)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474725 (US10849883, Compound 152b | US11559515, Compound 1...) Show SMILES CC(C)(C)OC(=O)N[C@H]1C[C@H](C1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 |r,wU:10.12,8.7,(-7.4,5.13,;-5.86,5.13,;-5.86,6.67,;-5.86,3.59,;-4.32,5.13,;-3.55,3.8,;-4.32,2.47,;-2.01,3.8,;-1.24,2.47,;.25,2.07,;-.15,.58,;-1.63,.98,;.62,-.75,;2.16,-.75,;2.93,-2.09,;2.16,-3.42,;4.47,-2.09,;5.24,-3.42,;6.78,-3.42,;7.55,-4.75,;9.09,-4.75,;9.86,-3.42,;9.09,-2.09,;9.86,-.75,;7.55,-2.09,;6.78,-.75,;-.15,-2.09,;-1.69,-2.09,;.62,-3.42,;-.15,-4.75,;-1.68,-4.92,;-2,-6.42,;-3.41,-7.05,;-3.57,-8.58,;-4.65,-6.14,;-.66,-7.19,;-.34,-8.7,;1.12,-9.17,;2.26,-8.14,;1.94,-6.64,;.48,-6.16,)| Show InChI InChI=1S/C28H32ClFN6O5/c1-28(2,3)41-27(40)33-17-11-18(12-17)35(14-22(37)32-13-16-7-6-9-20(29)24(16)30)23(38)15-36-21-10-5-4-8-19(21)25(34-36)26(31)39/h4-10,17-18H,11-15H2,1-3H3,(H2,31,39)(H,32,37)(H,33,40)/t17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474726 (US10849883, Compound 154d | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C24H22ClF4N3O3/c1-14(2)32(12-20(33)30-10-15-6-5-8-18(25)22(15)26)21(34)13-31-11-17(23(35)24(27,28)29)16-7-3-4-9-19(16)31/h3-9,11,14H,10,12-13H2,1-2H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474727 (US10849883, Compound 155d | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(C)=O)c2ccccc12 Show InChI InChI=1S/C23H24ClFN4O3/c1-14(2)28(12-20(31)26-11-16-7-6-9-18(24)22(16)25)21(32)13-29-19-10-5-4-8-17(19)23(27-29)15(3)30/h4-10,14H,11-13H2,1-3H3,(H,26,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474728 (US10849883, Compound 156f | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(C)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrClFN4O3/c1-13(2)29(11-20(32)27-10-15-5-4-6-18(25)22(15)26)21(33)12-30-19-8-7-16(24)9-17(19)23(28-30)14(3)31/h4-9,13H,10-12H2,1-3H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474729 (US10849883, Compound 157c | US11559515, Compound 1...) Show SMILES CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Nc1cn(C(C)=O)c2ccccc12 Show InChI InChI=1S/C23H24ClFN4O3/c1-14(2)28(13-21(31)26-11-16-7-6-9-18(24)22(16)25)23(32)27-19-12-29(15(3)30)20-10-5-4-8-17(19)20/h4-10,12,14H,11,13H2,1-3H3,(H,26,31)(H,27,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM474730 (US10849883, Compound 153a | US11559515, Compound 1...) Show SMILES N[C@H]1C[C@H](C1)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc12 |r,wU:1.0,3.5,(7.99,4.55,;7.99,3.01,;9.07,1.92,;7.99,.83,;6.9,1.92,;7.99,-.71,;9.32,-1.48,;10.65,-.71,;10.65,.83,;11.99,-1.48,;13.32,-.71,;14.65,-1.48,;14.65,-3.02,;15.99,-3.79,;17.32,-3.02,;17.32,-1.48,;18.65,-.71,;15.99,-.71,;15.99,.83,;6.65,-1.48,;6.65,-3.02,;5.32,-.71,;3.98,-1.48,;3.82,-3.01,;2.32,-3.33,;1.69,-4.74,;2.6,-5.98,;.16,-4.9,;1.55,-2,;.04,-1.68,;-.44,-.21,;.6,.93,;2.1,.61,;2.58,-.85,)| Show InChI InChI=1S/C23H24ClFN6O3/c24-17-6-3-4-13(21(17)25)10-28-19(32)11-30(15-8-14(26)9-15)20(33)12-31-18-7-2-1-5-16(18)22(29-31)23(27)34/h1-7,14-15H,8-12,26H2,(H2,27,34)(H,28,32)/t14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals, Inc. US Patent					Assay Description An established esterolytic assay for the measurement of Factor D activity and inhibition of Factor D activity was used (Kam, C. M.; McRae, B. J.; Har...				US Patent US10849883 (2020) BindingDB Entry DOI: 10.7270/Q22J6FZZ
					More data for this Ligand-Target Pair

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