BDBM50190143 CHEMBL3827651

SMILES: COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1

InChI Key: InChIKey=WSCGZHDPFIJIGQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50190143   

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 (Homo sapiens (Human))	BDBM50190143 (CHEMBL3827651) Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50190143 (CHEMBL3827651) Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50190143 (CHEMBL3827651) Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	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	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair