BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50118206'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50118206
PNG
(CHEMBL3613285)
Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r|
Show InChI InChI=1S/C26H44NO15PS3/c1-15(28)39-19-18(42-22(46(27,34)35)21(41-17(3)30)20(19)40-16(2)29)14-38-43(33,36-10-12-44-23(31)25(4,5)6)37-11-13-45-24(32)26(7,8)9/h18-22H,10-14H2,1-9H3,(H2,27,34,35)/t18-,19-,20+,21-,22+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 860n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay

J Med Chem 58: 7580-90 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01228
BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair