BDBM50209226 CHEMBL3884755

SMILES: COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC

InChI Key: InChIKey=HHWYFTNQJISJLG-SFTDATJTSA-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 = 50209226   

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))	BDBM50209226 (CHEMBL3884755) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.810	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-7 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50209226 (CHEMBL3884755) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50209226 (CHEMBL3884755) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50209226 (CHEMBL3884755) Show SMILES COc1ccc([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1OC |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1	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	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem 25: 539-544 (2017) Article DOI: 10.1016/j.bmc.2016.11.027 BindingDB Entry DOI: 10.7270/Q2G73GQQ
					More data for this Ligand-Target Pair