BDBM50092544 CHEMBL3586219

SMILES: CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccncc1

InChI Key: InChIKey=SBNZSOLFRZIOSH-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 = 50092544   

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 12 (Homo sapiens (Human))	BDBM50092544 (CHEMBL3586219) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50092544 (CHEMBL3586219) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50092544 (CHEMBL3586219) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50092544 (CHEMBL3586219) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C18H23N3O3S/c1-3-13-21(14-4-2)25(23,24)17-7-5-15(6-8-17)18(22)20-16-9-11-19-12-10-16/h5-12H,3-4,13-14H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 2975-81 (2015) Article DOI: 10.1016/j.bmc.2015.05.013 BindingDB Entry DOI: 10.7270/Q2WH2RRK
					More data for this Ligand-Target Pair