BDBM50424251 CHEMBL2314152

SMILES: [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](-[#8])=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](\[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)cc1

InChI Key: InChIKey=CLFBWEPKZFFFOI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50424251   

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))	BDBM50424251 (CHEMBL2314152) Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](-[#8])=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](\[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)cc1 Show InChI InChI=1S/C38H28N6O7S/c39-52(50,51)30-21-19-27(20-22-30)40-37(47)32-31(38(48)49)34(24-11-4-1-5-12-24)44(43-32)29-18-10-17-28(23-29)41-42-33(35(45)25-13-6-2-7-14-25)36(46)26-15-8-3-9-16-26/h1-23,41H,(H,40,47)(H,48,49)(H2,39,50,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 21-7 (2012) Article DOI: 10.1016/j.bmc.2012.11.012 BindingDB Entry DOI: 10.7270/Q2NV9KJR
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50424251 (CHEMBL2314152) Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](-[#8])=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](\[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)cc1 Show InChI InChI=1S/C38H28N6O7S/c39-52(50,51)30-21-19-27(20-22-30)40-37(47)32-31(38(48)49)34(24-11-4-1-5-12-24)44(43-32)29-18-10-17-28(23-29)41-42-33(35(45)25-13-6-2-7-14-25)36(46)26-15-8-3-9-16-26/h1-23,41H,(H,40,47)(H,48,49)(H2,39,50,51)	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	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 21-7 (2012) Article DOI: 10.1016/j.bmc.2012.11.012 BindingDB Entry DOI: 10.7270/Q2NV9KJR
					More data for this Ligand-Target Pair