BDBM50114869 CHEMBL3608881

SMILES: Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1

InChI Key: InChIKey=XYQZIYUVBIVLDY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50114869   

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))	BDBM50114869 (CHEMBL3608881) Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1 Show InChI InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50114869 (CHEMBL3608881) Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1 Show InChI InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50114869 (CHEMBL3608881) Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1 Show InChI InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50114869 (CHEMBL3608881) Show SMILES Cc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCCC1 Show InChI InChI=1S/C15H17N3O4S/c1-10-4-5-11(8-13(10)23(16,20)21)12-9-17-14(22-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair