BDBM50106418 CHEMBL3601889

SMILES: NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(cc2)-c2ccccc2)n1C1CCCCC1

InChI Key: InChIKey=AKCVKHJWJCIUQX-OHYPFYFLSA-N

Data: 4 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 4 hits for monomerid = 50106418   

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 12 (Homo sapiens (Human))	BDBM50106418 (CHEMBL3601889) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(cc2)-c2ccccc2)n1C1CCCCC1 Show InChI InChI=1S/C27H27N3O2S2/c28-34(31,32)25-17-15-23(16-18-25)29-27-30(24-9-5-2-6-10-24)26(19-33-27)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1,3-4,7-8,11-19,24H,2,5-6,9-10H2,(H2,28,31,32)/b29-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12				Bioorg Med Chem Lett 25: 3281-4 (2015) BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50106418 (CHEMBL3601889) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(cc2)-c2ccccc2)n1C1CCCCC1 Show InChI InChI=1S/C27H27N3O2S2/c28-34(31,32)25-17-15-23(16-18-25)29-27-30(24-9-5-2-6-10-24)26(19-33-27)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1,3-4,7-8,11-19,24H,2,5-6,9-10H2,(H2,28,31,32)/b29-27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2				Bioorg Med Chem Lett 25: 3281-4 (2015) BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50106418 (CHEMBL3601889) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(cc2)-c2ccccc2)n1C1CCCCC1 Show InChI InChI=1S/C27H27N3O2S2/c28-34(31,32)25-17-15-23(16-18-25)29-27-30(24-9-5-2-6-10-24)26(19-33-27)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1,3-4,7-8,11-19,24H,2,5-6,9-10H2,(H2,28,31,32)/b29-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9				Bioorg Med Chem Lett 25: 3281-4 (2015) BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50106418 (CHEMBL3601889) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2ccc(cc2)-c2ccccc2)n1C1CCCCC1 Show InChI InChI=1S/C27H27N3O2S2/c28-34(31,32)25-17-15-23(16-18-25)29-27-30(24-9-5-2-6-10-24)26(19-33-27)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1,3-4,7-8,11-19,24H,2,5-6,9-10H2,(H2,28,31,32)/b29-27-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1				Bioorg Med Chem Lett 25: 3281-4 (2015) BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair