BDBM50098360 CHEMBL3594413

SMILES: Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12

InChI Key: InChIKey=IPLZGNZXMVFUPB-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 = 50098360   

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))	BDBM50098360 (CHEMBL3594413) Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12 Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)	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))	BDBM50098360 (CHEMBL3594413) Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12 Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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))	BDBM50098360 (CHEMBL3594413) Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12 Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	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))	BDBM50098360 (CHEMBL3594413) Show SMILES Nc1ncnc2n(CC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)ncc12 Show InChI InChI=1S/C14H12N8O3S2/c15-12-8-4-19-22(13(8)18-6-17-12)5-11(23)21-14-20-9-2-1-7(27(16,24)25)3-10(9)26-14/h1-4,6H,5H2,(H2,15,17,18)(H2,16,24,25)(H,20,21,23)	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	49	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