BDBM50133804 CHEMBL3633782

SMILES: Oc1ccccc1C(=O)NNC(=S)NCc1ccccc1

InChI Key: InChIKey=WJGOKNAUGYSLHN-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 = 50133804   

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))	BDBM50133804 (CHEMBL3633782) Show SMILES Oc1ccccc1C(=O)NNC(=S)NCc1ccccc1 Show InChI InChI=1S/C15H15N3O2S/c19-13-9-5-4-8-12(13)14(20)17-18-15(21)16-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,17,20)(H2,16,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	834	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))	BDBM50133804 (CHEMBL3633782) Show SMILES Oc1ccccc1C(=O)NNC(=S)NCc1ccccc1 Show InChI InChI=1S/C15H15N3O2S/c19-13-9-5-4-8-12(13)14(20)17-18-15(21)16-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,17,20)(H2,16,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	980	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))	BDBM50133804 (CHEMBL3633782) Show SMILES Oc1ccccc1C(=O)NNC(=S)NCc1ccccc1 Show InChI InChI=1S/C15H15N3O2S/c19-13-9-5-4-8-12(13)14(20)17-18-15(21)16-10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,17,20)(H2,16,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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