BDBM50235683 CHEMBL4062664

SMILES: CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1

InChI Key: InChIKey=UWAUWBRWRNCNBI-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 = 50235683   

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))	BDBM50235683 (CHEMBL4062664) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	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 2 (Homo sapiens (Human))	BDBM50235683 (CHEMBL4062664) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	860	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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50235683 (CHEMBL4062664) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.92E+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 membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...				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 1 (Homo sapiens (Human))	BDBM50235683 (CHEMBL4062664) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.52E+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 recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...				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