BDBM50504749 CHEMBL4461308

SMILES: Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1

InChI Key: InChIKey=WEUXRDYAXRZXBQ-ZVHZXABRSA-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 = 50504749   

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))	BDBM50504749 (CHEMBL4461308) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C21H24N8O3S/c22-21-25-19(27-29(21)17-8-10-18(11-9-17)33(23,31)32)20(30)26-24-14-15-4-6-16(7-5-15)28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,26,30)(H2,22,25,27)(H2,23,31,32)/b24-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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))	BDBM50504749 (CHEMBL4461308) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C21H24N8O3S/c22-21-25-19(27-29(21)17-8-10-18(11-9-17)33(23,31)32)20(30)26-24-14-15-4-6-16(7-5-15)28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,26,30)(H2,22,25,27)(H2,23,31,32)/b24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	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))	BDBM50504749 (CHEMBL4461308) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C21H24N8O3S/c22-21-25-19(27-29(21)17-8-10-18(11-9-17)33(23,31)32)20(30)26-24-14-15-4-6-16(7-5-15)28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,26,30)(H2,22,25,27)(H2,23,31,32)/b24-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	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))	BDBM50504749 (CHEMBL4461308) Show SMILES Nc1nc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C21H24N8O3S/c22-21-25-19(27-29(21)17-8-10-18(11-9-17)33(23,31)32)20(30)26-24-14-15-4-6-16(7-5-15)28-12-2-1-3-13-28/h4-11,14H,1-3,12-13H2,(H,26,30)(H2,22,25,27)(H2,23,31,32)/b24-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	825	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