BDBM50209284 CHEMBL3884126

SMILES: COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1

InChI Key: InChIKey=GHNOBPHHWDUEPX-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 = 50209284   

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))	BDBM50209284 (CHEMBL3884126) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-15(16)21-20(19-5-4-10-31-19)22(25)24(21)13-6-8-14(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/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	3.60	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 4 (Homo sapiens (Human))	BDBM50209284 (CHEMBL3884126) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-15(16)21-20(19-5-4-10-31-19)22(25)24(21)13-6-8-14(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/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	5	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 2 (Homo sapiens (Human))	BDBM50209284 (CHEMBL3884126) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-15(16)21-20(19-5-4-10-31-19)22(25)24(21)13-6-8-14(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/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	7.60	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 1 (Homo sapiens (Human))	BDBM50209284 (CHEMBL3884126) Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-15(16)21-20(19-5-4-10-31-19)22(25)24(21)13-6-8-14(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/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	42	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