BDBM50185300 CHEMBL3822486

SMILES: NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1

InChI Key: InChIKey=PSWPNJDDMZNTMH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50185300   

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 XIV (Homo sapiens (Human))	BDBM50185300 (CHEMBL3822486) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50185300 (CHEMBL3822486) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50185300 (CHEMBL3822486) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50185300 (CHEMBL3822486) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50185300 (CHEMBL3822486) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50185300 (CHEMBL3822486) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C18H28N10O10S4/c19-41(33,34)17-27-25-15(39-17)23-13(31)3-1-11(29)21-5-7-37-9-10-38-8-6-22-12(30)2-4-14(32)24-16-26-28-18(40-16)42(20,35)36/h1-10H2,(H,21,29)(H,22,30)(H2,19,33,34)(H2,20,35,36)(H,23,25,31)(H,24,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair