BDBM50209287 CHEMBL3884217

SMILES: COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1

InChI Key: InChIKey=HNNKXKOZMNUTRV-PMACEKPBSA-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 = 50209287   

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))	BDBM50209287 (CHEMBL3884217) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-10-5-13(12-17(16)28-2)20-19(18-4-3-11-29-18)21(24)23(20)14-6-8-15(9-7-14)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	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))	BDBM50209287 (CHEMBL3884217) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-10-5-13(12-17(16)28-2)20-19(18-4-3-11-29-18)21(24)23(20)14-6-8-15(9-7-14)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/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	0.970	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))	BDBM50209287 (CHEMBL3884217) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-10-5-13(12-17(16)28-2)20-19(18-4-3-11-29-18)21(24)23(20)14-6-8-15(9-7-14)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	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))	BDBM50209287 (CHEMBL3884217) Show SMILES COc1ccc(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |r| Show InChI InChI=1S/C21H20N2O5S2/c1-27-16-10-5-13(12-17(16)28-2)20-19(18-4-3-11-29-18)21(24)23(20)14-6-8-15(9-7-14)30(22,25)26/h3-12,19-20H,1-2H3,(H2,22,25,26)/t19-,20-/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	24	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