BDBM50098352 CHEMBL3594420

SMILES: NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1

InChI Key: InChIKey=RJBAMMULOXQCSH-UHFFFAOYSA-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 = 50098352   

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 9 (Homo sapiens (Human))	BDBM50098352 (CHEMBL3594420) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50098352 (CHEMBL3594420) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50098352 (CHEMBL3594420) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50098352 (CHEMBL3594420) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=S)N3CCN(CC3)C(=S)Nc3nc4ccc(cc4s3)S(N)(=O)=O)sc2c1 Show InChI InChI=1S/C9H10N2S/c1-7-2-3-12-9(7)4-8-5-10-6-11-8/h2-3,5-6H,4H2,1H3,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
					More data for this Ligand-Target Pair