BDBM50095119 CHEMBL3589200

SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1

InChI Key: InChIKey=KNXOUOJRHUQSKV-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 5 hits for monomerid = 50095119   

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 12 (Homo sapiens (Human))	BDBM50095119 (CHEMBL3589200) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50095119 (CHEMBL3589200) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50095119 (CHEMBL3589200) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50095119 (CHEMBL3589200) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50095119 (CHEMBL3589200) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H16ClN5O4S/c22-12-1-10-18-17(11-12)19(20(28)27-18)24-13-2-4-14(5-3-13)25-21(29)26-15-6-8-16(9-7-15)32(23,30)31/h1-11H,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin) using biotinylated poly-GluTyr by ELISA reader				Eur J Med Chem 100: 89-97 (2015) Article DOI: 10.1016/j.ejmech.2015.05.040 BindingDB Entry DOI: 10.7270/Q24M968J
					More data for this Ligand-Target Pair