BindingDB PrimarySearch_ki

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

BDBM50540950 CHEMBL4642599

SMILES: c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3

InChI Key: InChIKey=PYCJQGYVMKZBRZ-UHFFFAOYSA-N

Data: 4 KI

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50540950
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 12 (Human)	BDBM50540950 (CHEMBL4642599) Show SMILES Show InChI	GoogleScholar	UniChem		6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Human)	BDBM50540950 (CHEMBL4642599) Show SMILES Show InChI	GoogleScholar	UniChem		73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Human)	BDBM50540950 (CHEMBL4642599) Show SMILES Show InChI	GoogleScholar	UniChem		197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Human)	BDBM50540950 (CHEMBL4642599) Show SMILES Show InChI	GoogleScholar	UniChem		681	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair