BDBM50500701 CHEMBL3752729

SMILES: CN(CC(O)=O)c1ccc2CSc3ncccc3-c2c1

InChI Key: InChIKey=KYXBVKANDRMCNM-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 = 50500701   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50500701 (CHEMBL3752729) Show SMILES CN(CC(O)=O)c1ccc2CSc3ncccc3-c2c1 Show InChI InChI=1S/C15H14N2O2S/c1-17(8-14(18)19)11-5-4-10-9-20-15-12(13(10)7-11)3-2-6-16-15/h2-7H,8-9H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50500701 (CHEMBL3752729) Show SMILES CN(CC(O)=O)c1ccc2CSc3ncccc3-c2c1 Show InChI InChI=1S/C15H14N2O2S/c1-17(8-14(18)19)11-5-4-10-9-20-15-12(13(10)7-11)3-2-6-16-15/h2-7H,8-9H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50500701 (CHEMBL3752729) Show SMILES CN(CC(O)=O)c1ccc2CSc3ncccc3-c2c1 Show InChI InChI=1S/C15H14N2O2S/c1-17(8-14(18)19)11-5-4-10-9-20-15-12(13(10)7-11)3-2-6-16-15/h2-7H,8-9H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	638	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50500701 (CHEMBL3752729) Show SMILES CN(CC(O)=O)c1ccc2CSc3ncccc3-c2c1 Show InChI InChI=1S/C15H14N2O2S/c1-17(8-14(18)19)11-5-4-10-9-20-15-12(13(10)7-11)3-2-6-16-15/h2-7H,8-9H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 921-7 (2016) Article DOI: 10.1016/j.bmc.2016.01.018 BindingDB Entry DOI: 10.7270/Q2000531
					More data for this Ligand-Target Pair