BDBM50066008 CHEMBL3401465

SMILES: CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O

InChI Key: InChIKey=DRQAOQQVQRJQTC-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 = 50066008   

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))	BDBM50066008 (CHEMBL3401465) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration assay				Bioorg Med Chem 23: 1421-9 (2015) Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50066008 (CHEMBL3401465) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)	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	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration assay				Bioorg Med Chem 23: 1421-9 (2015) Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50066008 (CHEMBL3401465) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration assay				Bioorg Med Chem 23: 1421-9 (2015) Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50066008 (CHEMBL3401465) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)	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	6.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration assay				Bioorg Med Chem 23: 1421-9 (2015) Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03
					More data for this Ligand-Target Pair