BDBM50133863 CHEMBL3127420

SMILES: Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1

InChI Key: InChIKey=CAPKWGXKALABBY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50133863   

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))	BDBM50133863 (CHEMBL3127420) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C14H14N4OS/c1-10-2-4-12(5-3-10)16-14(20)18-17-13(19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	47	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))	BDBM50133863 (CHEMBL3127420) Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccncc2)cc1 Show InChI InChI=1S/C14H14N4OS/c1-10-2-4-12(5-3-10)16-14(20)18-17-13(19)11-6-8-15-9-7-11/h2-9H,1H3,(H,17,19)(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.12E+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