BDBM237291 CA inhibitor, 2

SMILES: Cc1c(CCO)sc[n+]1Cc1ccccc1

InChI Key: InChIKey=KFFCZLRCIKDJRE-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 237291   

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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237291 (CA inhibitor, 2) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccccc1 Show InChI InChI=1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	105	-9.51	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM237291 (CA inhibitor, 2) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccccc1 Show InChI InChI=1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	128	-9.40	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237291 (CA inhibitor, 2) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccccc1 Show InChI InChI=1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.15E+3	-8.10	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair