BDBM50065991 CHEMBL3261387

SMILES: CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=IPQVHKNNVQDDIM-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 = 50065991   

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))	BDBM50065991 (CHEMBL3261387) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3	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	38	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))	BDBM50065991 (CHEMBL3261387) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	636	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))	BDBM50065991 (CHEMBL3261387) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3	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))	BDBM50065991 (CHEMBL3261387) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3	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))	BDBM50065991 (CHEMBL3261387) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3	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