BDBM50154317 (S)-2-[3-(4-Sulfamoyl-phenyl)-thioureido]-propionic acid 4-methylcarbamoylmethoxy-benzyl with resin::CHEMBL362345

SMILES: CNC(=O)COc1ccc(COC(=O)[C@H](C)NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1

InChI Key: InChIKey=ZRMHSSFCCBYNHY-ZDUSSCGKSA-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 = 50154317   

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))	BDBM50154317 ((S)-2-[3-(4-Sulfamoyl-phenyl)-thioureido]-propioni...) Show SMILES CNC(=O)COc1ccc(COC(=O)[C@H](C)NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H24N4O6S2/c1-13(23-20(31)24-15-5-9-17(10-6-15)32(21,27)28)19(26)30-11-14-3-7-16(8-4-14)29-12-18(25)22-2/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H2,21,27,28)(H2,23,24,31)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory activity against human Carbonic anhydrase II				J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50154317 ((S)-2-[3-(4-Sulfamoyl-phenyl)-thioureido]-propioni...) Show SMILES CNC(=O)COc1ccc(COC(=O)[C@H](C)NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H24N4O6S2/c1-13(23-20(31)24-15-5-9-17(10-6-15)32(21,27)28)19(26)30-11-14-3-7-16(8-4-14)29-12-18(25)22-2/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H2,21,27,28)(H2,23,24,31)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory activity against human Carbonic anhydrase I				J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ
					More data for this Ligand-Target Pair