BDBM50133805 CHEMBL3633781

SMILES: Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1

InChI Key: InChIKey=WZHVKTQLJNVVMJ-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50133805   

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))	BDBM50133805 (CHEMBL3633781) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	44	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))	BDBM50133805 (CHEMBL3633781) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.25E+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))	BDBM50133805 (CHEMBL3633781) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 Show InChI InChI=1S/C15H15N3O2S/c1-10-6-8-11(9-7-10)16-15(21)18-17-14(20)12-4-2-3-5-13(12)19/h2-9,19H,1H3,(H,17,20)(H2,16,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB 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