BDBM50504777 CHEMBL4559106

SMILES: Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(O)cc1

InChI Key: InChIKey=YINDRUSRMMISNK-DJKKODMXSA-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 = 50504777   

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 (Homo sapiens (Human))	BDBM50504777 (CHEMBL4559106) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H15N7O4S/c17-16-20-14(15(25)21-19-9-10-1-5-12(24)6-2-10)22-23(16)11-3-7-13(8-4-11)28(18,26)27/h1-9,24H,(H,21,25)(H2,17,20,22)(H2,18,26,27)/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-12 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50504777 (CHEMBL4559106) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H15N7O4S/c17-16-20-14(15(25)21-19-9-10-1-5-12(24)6-2-10)22-23(16)11-3-7-13(8-4-11)28(18,26)27/h1-9,24H,(H,21,25)(H2,17,20,22)(H2,18,26,27)/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-9 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50504777 (CHEMBL4559106) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H15N7O4S/c17-16-20-14(15(25)21-19-9-10-1-5-12(24)6-2-10)22-23(16)11-3-7-13(8-4-11)28(18,26)27/h1-9,24H,(H,21,25)(H2,17,20,22)(H2,18,26,27)/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50504777 (CHEMBL4559106) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H15N7O4S/c17-16-20-14(15(25)21-19-9-10-1-5-12(24)6-2-10)22-23(16)11-3-7-13(8-4-11)28(18,26)27/h1-9,24H,(H,21,25)(H2,17,20,22)(H2,18,26,27)/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	335	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 incubated for 15 mins by stopped flow CO2 hydrase assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111843
					More data for this Ligand-Target Pair