BDBM50197885 CHEMBL3940890

SMILES: Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O

InChI Key: InChIKey=WBFUHHBPNXWNCC-UHFFFAOYSA-N

Data: 4 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50197885   

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
Transthyretin (Homo sapiens (Human))	BDBM50197885 (CHEMBL3940890) Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a
Universidade de Coimbra Curated by ChEMBL					Assay Description Binding affinity to human plasma wild type TTR assessed as dissociation constants for second binding site of TTR by isothermal titration calorimetric...				Eur J Med Chem 121: 823-840 (2016) Article DOI: 10.1016/j.ejmech.2016.02.074 BindingDB Entry DOI: 10.7270/Q26975JG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transthyretin (Homo sapiens (Human))	BDBM50197885 (CHEMBL3940890) Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a
University of the Pacific Curated by ChEMBL					Assay Description Binding affinity to transthyretin (unknown origin) by ITC method				J Med Chem 61: 7862-7876 (2018) Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serum albumin (Homo sapiens (Human))	BDBM50197885 (CHEMBL3940890) Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a
University of the Pacific Curated by ChEMBL					Assay Description Binding affinity to human serum albumin by ITC method				J Med Chem 61: 7862-7876 (2018) Article DOI: 10.1021/acs.jmedchem.8b00817 BindingDB Entry DOI: 10.7270/Q2KP84SS
					More data for this Ligand-Target Pair
Transthyretin (Homo sapiens (Human))	BDBM50197885 (CHEMBL3940890) Show SMILES Cc1n[nH]c(C)c1CCCOc1cc(ccc1F)C(O)=O Show InChI InChI=1S/C15H17FN2O3/c1-9-12(10(2)18-17-9)4-3-7-21-14-8-11(15(19)20)5-6-13(14)16/h5-6,8H,3-4,7H2,1-2H3,(H,17,18)(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a
Universidade de Coimbra Curated by ChEMBL					Assay Description Binding affinity to human plasma wild type TTR assessed as dissociation constants for first binding site of TTR by isothermal titration calorimetric ...				Eur J Med Chem 121: 823-840 (2016) Article DOI: 10.1016/j.ejmech.2016.02.074 BindingDB Entry DOI: 10.7270/Q26975JG
					More data for this Ligand-Target Pair				3D Structure (crystal)