BDBM50098356 CHEMBL3594417

SMILES: NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1

InChI Key: InChIKey=GULFCSJATVSWDT-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 = 50098356   

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 9 (Homo sapiens (Human))	BDBM50098356 (CHEMBL3594417) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1 Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50098356 (CHEMBL3594417) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1 Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50098356 (CHEMBL3594417) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1 Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50098356 (CHEMBL3594417) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1 Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair