BDBM50066005 CHEMBL3357169

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

InChI Key: InChIKey=MCOABTLNFBDVFZ-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50066005   

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))	BDBM50066005 (CHEMBL3357169) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3	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	42	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 12 (Homo sapiens (Human))	BDBM50066005 (CHEMBL3357169) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	281	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 1 (Homo sapiens (Human))	BDBM50066005 (CHEMBL3357169) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3	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	>1.00E+4	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50066005 (CHEMBL3357169) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50066005 (CHEMBL3357169) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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 Abl (unknown origin) using GGEAIYAAPFKK peptide as substrate by [gamma-33P]ATP 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