BDBM50211512 CHEMBL3982616

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2c(Cl)cccc2Cl)cc1

InChI Key: InChIKey=AYWVQZXYBROZGY-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 = 50211512   

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 7 (Homo sapiens (Human))	BDBM50211512 (CHEMBL3982616) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-4.82,;14.49,-5.59,;12.94,-5.59,;13.71,-4.25,;14.49,-7.13,;15.82,-7.9,;15.83,-9.43,;14.5,-10.21,;14.5,-11.74,;15.83,-12.5,;17.16,-11.73,;15.84,-14.04,;14.6,-14.94,;13.14,-14.47,;11.99,-15.52,;12.32,-17.03,;10.52,-15.05,;10.19,-13.54,;8.72,-13.07,;7.57,-14.11,;7.91,-15.63,;9.39,-16.09,;6.09,-13.65,;5.76,-12.13,;4.95,-14.69,;15.08,-16.4,;16.62,-16.39,;17.08,-14.93,;18.62,-14.92,;19.38,-13.59,;18.6,-12.26,;20.92,-13.58,;21.7,-14.92,;20.94,-16.26,;19.39,-16.26,;18.62,-17.6,;13.17,-9.43,;13.17,-7.9,)| Show InChI InChI=1S/C23H15Cl2N5O7S/c24-16-2-1-3-17(25)18(16)20-19(22(32)27-13-6-10-15(11-7-13)38(26,35)36)23(37-29-20)28-21(31)12-4-8-14(9-5-12)30(33)34/h1-11H,(H,27,32)(H,28,31)(H2,26,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50211512 (CHEMBL3982616) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-4.82,;14.49,-5.59,;12.94,-5.59,;13.71,-4.25,;14.49,-7.13,;15.82,-7.9,;15.83,-9.43,;14.5,-10.21,;14.5,-11.74,;15.83,-12.5,;17.16,-11.73,;15.84,-14.04,;14.6,-14.94,;13.14,-14.47,;11.99,-15.52,;12.32,-17.03,;10.52,-15.05,;10.19,-13.54,;8.72,-13.07,;7.57,-14.11,;7.91,-15.63,;9.39,-16.09,;6.09,-13.65,;5.76,-12.13,;4.95,-14.69,;15.08,-16.4,;16.62,-16.39,;17.08,-14.93,;18.62,-14.92,;19.38,-13.59,;18.6,-12.26,;20.92,-13.58,;21.7,-14.92,;20.94,-16.26,;19.39,-16.26,;18.62,-17.6,;13.17,-9.43,;13.17,-7.9,)| Show InChI InChI=1S/C23H15Cl2N5O7S/c24-16-2-1-3-17(25)18(16)20-19(22(32)27-13-6-10-15(11-7-13)38(26,35)36)23(37-29-20)28-21(31)12-4-8-14(9-5-12)30(33)34/h1-11H,(H,27,32)(H,28,31)(H2,26,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	305	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50211512 (CHEMBL3982616) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-4.82,;14.49,-5.59,;12.94,-5.59,;13.71,-4.25,;14.49,-7.13,;15.82,-7.9,;15.83,-9.43,;14.5,-10.21,;14.5,-11.74,;15.83,-12.5,;17.16,-11.73,;15.84,-14.04,;14.6,-14.94,;13.14,-14.47,;11.99,-15.52,;12.32,-17.03,;10.52,-15.05,;10.19,-13.54,;8.72,-13.07,;7.57,-14.11,;7.91,-15.63,;9.39,-16.09,;6.09,-13.65,;5.76,-12.13,;4.95,-14.69,;15.08,-16.4,;16.62,-16.39,;17.08,-14.93,;18.62,-14.92,;19.38,-13.59,;18.6,-12.26,;20.92,-13.58,;21.7,-14.92,;20.94,-16.26,;19.39,-16.26,;18.62,-17.6,;13.17,-9.43,;13.17,-7.9,)| Show InChI InChI=1S/C23H15Cl2N5O7S/c24-16-2-1-3-17(25)18(16)20-19(22(32)27-13-6-10-15(11-7-13)38(26,35)36)23(37-29-20)28-21(31)12-4-8-14(9-5-12)30(33)34/h1-11H,(H,27,32)(H,28,31)(H2,26,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	426	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50211512 (CHEMBL3982616) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(cc3)[N+]([O-])=O)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-4.82,;14.49,-5.59,;12.94,-5.59,;13.71,-4.25,;14.49,-7.13,;15.82,-7.9,;15.83,-9.43,;14.5,-10.21,;14.5,-11.74,;15.83,-12.5,;17.16,-11.73,;15.84,-14.04,;14.6,-14.94,;13.14,-14.47,;11.99,-15.52,;12.32,-17.03,;10.52,-15.05,;10.19,-13.54,;8.72,-13.07,;7.57,-14.11,;7.91,-15.63,;9.39,-16.09,;6.09,-13.65,;5.76,-12.13,;4.95,-14.69,;15.08,-16.4,;16.62,-16.39,;17.08,-14.93,;18.62,-14.92,;19.38,-13.59,;18.6,-12.26,;20.92,-13.58,;21.7,-14.92,;20.94,-16.26,;19.39,-16.26,;18.62,-17.6,;13.17,-9.43,;13.17,-7.9,)| Show InChI InChI=1S/C23H15Cl2N5O7S/c24-16-2-1-3-17(25)18(16)20-19(22(32)27-13-6-10-15(11-7-13)38(26,35)36)23(37-29-20)28-21(31)12-4-8-14(9-5-12)30(33)34/h1-11H,(H,27,32)(H,28,31)(H2,26,35,36)	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	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair