BDBM50211588 CHEMBL3894919

SMILES: Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=VGNWINMWRQYNCC-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 = 50211588   

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 2 (Homo sapiens (Human))	BDBM50211588 (CHEMBL3894919) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(13.16,-14.5,;14.63,-14.96,;15.1,-16.42,;16.64,-16.42,;17.11,-14.95,;15.86,-14.06,;15.86,-12.52,;17.19,-11.75,;14.53,-11.76,;14.52,-10.22,;15.85,-9.45,;15.85,-7.91,;14.52,-7.14,;13.19,-7.91,;13.19,-9.45,;14.51,-5.6,;15.86,-4.83,;12.96,-5.6,;13.73,-4.26,;18.65,-14.95,;19.42,-13.62,;18.63,-12.28,;20.96,-13.61,;21.74,-14.95,;20.97,-16.29,;19.43,-16.29,;18.65,-17.63,)| Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.20	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))	BDBM50211588 (CHEMBL3894919) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(13.16,-14.5,;14.63,-14.96,;15.1,-16.42,;16.64,-16.42,;17.11,-14.95,;15.86,-14.06,;15.86,-12.52,;17.19,-11.75,;14.53,-11.76,;14.52,-10.22,;15.85,-9.45,;15.85,-7.91,;14.52,-7.14,;13.19,-7.91,;13.19,-9.45,;14.51,-5.6,;15.86,-4.83,;12.96,-5.6,;13.73,-4.26,;18.65,-14.95,;19.42,-13.62,;18.63,-12.28,;20.96,-13.61,;21.74,-14.95,;20.97,-16.29,;19.43,-16.29,;18.65,-17.63,)| Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	50	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
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50211588 (CHEMBL3894919) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(13.16,-14.5,;14.63,-14.96,;15.1,-16.42,;16.64,-16.42,;17.11,-14.95,;15.86,-14.06,;15.86,-12.52,;17.19,-11.75,;14.53,-11.76,;14.52,-10.22,;15.85,-9.45,;15.85,-7.91,;14.52,-7.14,;13.19,-7.91,;13.19,-9.45,;14.51,-5.6,;15.86,-4.83,;12.96,-5.6,;13.73,-4.26,;18.65,-14.95,;19.42,-13.62,;18.63,-12.28,;20.96,-13.61,;21.74,-14.95,;20.97,-16.29,;19.43,-16.29,;18.65,-17.63,)| Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	52	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))	BDBM50211588 (CHEMBL3894919) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(13.16,-14.5,;14.63,-14.96,;15.1,-16.42,;16.64,-16.42,;17.11,-14.95,;15.86,-14.06,;15.86,-12.52,;17.19,-11.75,;14.53,-11.76,;14.52,-10.22,;15.85,-9.45,;15.85,-7.91,;14.52,-7.14,;13.19,-7.91,;13.19,-9.45,;14.51,-5.6,;15.86,-4.83,;12.96,-5.6,;13.73,-4.26,;18.65,-14.95,;19.42,-13.62,;18.63,-12.28,;20.96,-13.61,;21.74,-14.95,;20.97,-16.29,;19.43,-16.29,;18.65,-17.63,)| Show InChI InChI=1S/C16H12Cl2N4O4S/c17-10-2-1-3-11(18)12(10)14-13(15(19)26-22-14)16(23)21-8-4-6-9(7-5-8)27(20,24)25/h1-7H,19H2,(H,21,23)(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	146	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