BDBM50235676 CHEMBL4089713

SMILES: CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1

InChI Key: InChIKey=FHMXPAZCYYUXLD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50235676   

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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50235676 (CHEMBL4089713) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)	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	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50235676 (CHEMBL4089713) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50235676 (CHEMBL4089713) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)	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	3.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
					More data for this Ligand-Target Pair