BDBM50428511 CHEMBL2336627

SMILES: COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=AFNXGCOXGDSWNC-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 = 50428511   

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 9 (Homo sapiens (Human))	BDBM50428511 (CHEMBL2336627) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-12-17(13-25)23-24(21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428511 (CHEMBL2336627) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-12-17(13-25)23-24(21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	264	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428511 (CHEMBL2336627) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-12-17(13-25)23-24(21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair