BDBM50171194 CHEMBL3805886

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(Cl)cc1

InChI Key: InChIKey=SHVVVMSMELBKDU-VKVKMMGJSA-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 = 50171194   

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))	BDBM50171194 (CHEMBL3805886) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S2/c29-19-3-1-16(2-4-19)26-18(14-36(35-26)21-6-8-22(9-7-21)42(31,38)39)13-32-34-28-33-24(15-41-28)23-12-17-11-20(30)5-10-25(17)40-27(23)37/h1-15H,(H,33,34)(H2,31,38,39)/b32-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50171194 (CHEMBL3805886) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S2/c29-19-3-1-16(2-4-19)26-18(14-36(35-26)21-6-8-22(9-7-21)42(31,38)39)13-32-34-28-33-24(15-41-28)23-12-17-11-20(30)5-10-25(17)40-27(23)37/h1-15H,(H,33,34)(H2,31,38,39)/b32-13-	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	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171194 (CHEMBL3805886) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S2/c29-19-3-1-16(2-4-19)26-18(14-36(35-26)21-6-8-22(9-7-21)42(31,38)39)13-32-34-28-33-24(15-41-28)23-12-17-11-20(30)5-10-25(17)40-27(23)37/h1-15H,(H,33,34)(H2,31,38,39)/b32-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171194 (CHEMBL3805886) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S2/c29-19-3-1-16(2-4-19)26-18(14-36(35-26)21-6-8-22(9-7-21)42(31,38)39)13-32-34-28-33-24(15-41-28)23-12-17-11-20(30)5-10-25(17)40-27(23)37/h1-15H,(H,33,34)(H2,31,38,39)/b32-13-	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair