null

SMILES: NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=JWNROMXOJKZLFC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50171026   

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 12 (Homo sapiens (Human))	BDBM50171026 (4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...) Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171026 (4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...) Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171026 (4-{2-[3-(2-Amino-5-guanidino-pentanoyl)-thioureido...) Show SMILES NC(CCCNC(N)=N)C(=O)NC(=S)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H25N7O3S2/c16-12(2-1-8-20-14(17)18)13(23)22-15(26)21-9-7-10-3-5-11(6-4-10)27(19,24)25/h3-6,12H,1-2,7-9,16H2,(H4,17,18,20)(H2,19,24,25)(H2,21,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
					More data for this Ligand-Target Pair