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Compile Data Set for Download or QSAR

Found 8 hits of kd for UniProtKB: P00746   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Complement factor D


(Homo sapiens (Human))
BDBM50201564
PNG
(CHEMBL3890777)
Show SMILES NC(=O)c1nn(CC(=O)N2CCS[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12
Show InChI InChI=1/C18H16BrN7O3S/c19-11-4-1-5-12(22-11)23-17(29)18-25(7-8-30-18)13(27)9-26-16-10(3-2-6-21-16)14(24-26)15(20)28/h1-6,18H,7-9H2,(H2,20,28)(H,22,23,29)/t18-/s2
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n/an/an/a 19n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by b...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50201565
PNG
(CHEMBL3941259)
Show SMILES NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(Br)n2)c2ncccc12
Show InChI InChI=1/C20H18BrN7O3/c21-14-4-1-5-15(24-14)25-20(31)13-8-10-7-12(10)28(13)16(29)9-27-19-11(3-2-6-23-19)17(26-27)18(22)30/h1-6,10,12-13H,7-9H2,(H2,22,30)(H,24,25,31)/t10-,12-,13+/s2
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n/an/an/a 17n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by b...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM50201569
PNG
(CHEMBL3924715)
Show SMILES Brc1cccc(NC(=O)[C@@H]2SCCN2C(=O)Cn2ncc3ccccc23)n1
Show InChI InChI=1/C18H16BrN5O2S/c19-14-6-3-7-15(21-14)22-17(26)18-23(8-9-27-18)16(25)11-24-13-5-2-1-4-12(13)10-20-24/h1-7,10,18H,8-9,11H2,(H,21,22,26)/t18-/s2
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n/an/an/a 2.21E+3n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by b...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM203867
PNG
(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)
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n/an/an/a 1.60E+6n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human compl...


J Med Chem 60: 1946-1958 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01684
BindingDB Entry DOI: 10.7270/Q2ZG6VHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM203867
PNG
(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)
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n/an/an/a 1.60E+6n/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human 15-N labeled complement factor D catalytic domain (G24 to A253 residues) expressed in expressed in Escherichia ...


J Med Chem 60: 5717-5735 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00425
BindingDB Entry DOI: 10.7270/Q2TB195V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50236213
PNG
(2-(3-Benzylureido)Benzoic Acid | CHEMBL561499)
Show SMILES OC(=O)c1ccccc1NC(=O)NCc1ccccc1
Show InChI InChI=1S/C15H14N2O3/c18-14(19)12-8-4-5-9-13(12)17-15(20)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)
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n/an/an/a 5.00E+5n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human compl...


J Med Chem 60: 1946-1958 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01684
BindingDB Entry DOI: 10.7270/Q2ZG6VHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50236214
PNG
(CHEMBL4089211)
Show SMILES OC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C1CC1c1ccccc1
Show InChI InChI=1/C19H15FN2O3/c20-11-6-7-15-14(8-11)16(17(21-15)19(24)25)22-18(23)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13,21H,9H2,(H,22,23)(H,24,25)
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n/an/an/a 5.00E+5n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [19F]-Methyl (S)-2-((2-((3-(Trifluoromethoxy)phenyl)carbamoyl)-pyrrolidine-1-carboxamido)methyl)benzoate from recombinant human compl...


J Med Chem 60: 1946-1958 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01684
BindingDB Entry DOI: 10.7270/Q2ZG6VHG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Complement factor D


(Homo sapiens (Human))
BDBM50201568
PNG
(CHEMBL3951127)
Show SMILES Brc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn2ncc3ccccc23)n1
Show InChI InChI=1/C20H18BrN5O2/c21-17-6-3-7-18(23-17)24-20(28)16-9-13-8-15(13)26(16)19(27)11-25-14-5-2-1-4-12(14)10-22-25/h1-7,10,13,15-16H,8-9,11H2,(H,23,24,28)/t13-,15-,16+/s2
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n/an/an/a 1.20E+4n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human C-terminal 6His-tagged/biotinylated complement factor D (26 to 253 residues) expressed in Sf9 insect cells by b...


ACS Med Chem Lett 7: 1092-1096 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00299
BindingDB Entry DOI: 10.7270/Q26T0PM3
More data for this
Ligand-Target Pair