BDBM50176457 CHEMBL3808852

SMILES: NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)\C(=C\c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1

InChI Key: InChIKey=WGYODMUMBPFNHV-STZFKDTASA-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 = 50176457   

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))	BDBM50176457 (CHEMBL3808852) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)\C(=C\c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1 |c:26| Show InChI InChI=1S/C25H19ClN6O3S2/c26-18-8-6-16(7-9-18)14-21-24(33)32(23(29-21)17-4-2-1-3-5-17)31-22-15-36-25(30-22)28-19-10-12-20(13-11-19)37(27,34)35/h1-15,31H,(H,28,30)(H2,27,34,35)/b21-14-	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	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 3043-3051 (2016) BindingDB Entry DOI: 10.7270/Q2736STC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50176457 (CHEMBL3808852) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)\C(=C\c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1 |c:26| Show InChI InChI=1S/C25H19ClN6O3S2/c26-18-8-6-16(7-9-18)14-21-24(33)32(23(29-21)17-4-2-1-3-5-17)31-22-15-36-25(30-22)28-19-10-12-20(13-11-19)37(27,34)35/h1-15,31H,(H,28,30)(H2,27,34,35)/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 3043-3051 (2016) BindingDB Entry DOI: 10.7270/Q2736STC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50176457 (CHEMBL3808852) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)\C(=C\c4ccc(Cl)cc4)N=C3c3ccccc3)cs2)cc1 |c:26| Show InChI InChI=1S/C25H19ClN6O3S2/c26-18-8-6-16(7-9-18)14-21-24(33)32(23(29-21)17-4-2-1-3-5-17)31-22-15-36-25(30-22)28-19-10-12-20(13-11-19)37(27,34)35/h1-15,31H,(H,28,30)(H2,27,34,35)/b21-14-	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	702	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 3043-3051 (2016) BindingDB Entry DOI: 10.7270/Q2736STC
					More data for this Ligand-Target Pair