BDBM50133806 CHEMBL3633780

SMILES: Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1

InChI Key: InChIKey=AZCYPCFHNBZJNB-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50133806   

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))	BDBM50133806 (CHEMBL3633780) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1 Show InChI InChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)	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	86	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))	BDBM50133806 (CHEMBL3633780) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1 Show InChI InChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)	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	1.22E+3	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))	BDBM50133806 (CHEMBL3633780) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1 Show InChI InChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)	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
D-alanine--D-alanine ligase (Enterococcus faecalis (strain ATCC 700802 / V583))	BDBM50133806 (CHEMBL3633780) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccccc1 Show InChI InChI=1S/C14H13N3O2S/c18-12-9-5-4-8-11(12)13(19)16-17-14(20)15-10-6-2-1-3-7-10/h1-9,18H,(H,16,19)(H2,15,17,20)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067
					More data for this Ligand-Target Pair