BDBM50133807 CHEMBL3633779

SMILES: CCNC(=S)NNC(=O)c1ccccc1O

InChI Key: InChIKey=FFUAMWJMASXKII-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 = 50133807   

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 1 (Homo sapiens (Human))	BDBM50133807 (CHEMBL3633779) Show SMILES CCNC(=S)NNC(=O)c1ccccc1O Show InChI InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-9(15)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,12,15)(H2,11,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 5636-41 (2015) BindingDB Entry DOI: 10.7270/Q251412B
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50133807 (CHEMBL3633779) Show SMILES CCNC(=S)NNC(=O)c1ccccc1O Show InChI InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-9(15)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,12,15)(H2,11,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	878	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 5636-41 (2015) BindingDB Entry DOI: 10.7270/Q251412B
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50133807 (CHEMBL3633779) Show SMILES CCNC(=S)NNC(=O)c1ccccc1O Show InChI InChI=1S/C10H13N3O2S/c1-2-11-10(16)13-12-9(15)7-5-3-4-6-8(7)14/h3-6,14H,2H2,1H3,(H,12,15)(H2,11,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Balikesir University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 5636-41 (2015) BindingDB Entry DOI: 10.7270/Q251412B
					More data for this Ligand-Target Pair