BDBM50180248 CHEMBL3813924

SMILES: Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=HNFIGQWLNNIMIU-UHFFFAOYSA-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 = 50180248   

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 7 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50180248 (CHEMBL3813924) Show SMILES Nc1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C9H9N5O3S2/c10-6-3-1-5(2-4-6)7(15)12-8-13-14-9(18-8)19(11,16)17/h1-4H,10H2,(H2,11,16,17)(H,12,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 3548-55 (2016) BindingDB Entry DOI: 10.7270/Q2N29ZVD
					More data for this Ligand-Target Pair