BDBM50333109 CHEMBL4161639
SMILES: NCc1cccc(c1)-c1cccc(c1)C(=O)N[C@H]1CCCc2ccccc12
InChI Key: InChIKey=ONRUCWPTBOHFGA-QHCPKHFHSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Complement factor D (Homo sapiens (Human)) | BDBM50333109 (CHEMBL4161639) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 5.40E+4 | 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 | 3D Structure (crystal) | ||||||||||||
Complement factor D (Homo sapiens (Human)) | BDBM50333109 (CHEMBL4161639) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of 2-((1E,3E,5E)-5-(1-(6-((((3S,5S)-1-((1-carbamoyl-1H-indol-3-yl)carbamoyl)-5-((3-chloro-2-fluorobenzyl)carbamoyl)-3-fluoropyrrolidin-3-y... | J Med Chem 62: 4656-4668 (2019) Article DOI: 10.1021/acs.jmedchem.9b00271 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Complement factor D (Homo sapiens (Human)) | BDBM50333109 (CHEMBL4161639) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 2.00E+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 | 3D Structure (crystal) |