BDBM50261590 CHEMBL4059984

SMILES: COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC

InChI Key: InChIKey=NBLVVHQLQFZYNH-ONNFQVAWSA-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 = 50261590   

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))	BDBM50261590 (CHEMBL4059984) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50261590 (CHEMBL4059984) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50261590 (CHEMBL4059984) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50261590 (CHEMBL4059984) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair