null

SMILES: CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=DYYGPMWHPGKTMS-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50346726   

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 1 (Homo sapiens (Human))	BDBM50346726 (CHEMBL1797790) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C24H36BN5O6S3/c1-3-25(4-2)36-23(31)22(26)7-5-6-16-28-24(37)30-19-10-14-21(15-11-19)39(34,35)29-17-18-8-12-20(13-9-18)38(27,32)33/h8-15,22,29H,3-7,16-17,26H2,1-2H3,(H2,27,32,33)(H2,28,30,37)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50346726 (CHEMBL1797790) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C24H36BN5O6S3/c1-3-25(4-2)36-23(31)22(26)7-5-6-16-28-24(37)30-19-10-14-21(15-11-19)39(34,35)29-17-18-8-12-20(13-9-18)38(27,32)33/h8-15,22,29H,3-7,16-17,26H2,1-2H3,(H2,27,32,33)(H2,28,30,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50346726 (CHEMBL1797790) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C24H36BN5O6S3/c1-3-25(4-2)36-23(31)22(26)7-5-6-16-28-24(37)30-19-10-14-21(15-11-19)39(34,35)29-17-18-8-12-20(13-9-18)38(27,32)33/h8-15,22,29H,3-7,16-17,26H2,1-2H3,(H2,27,32,33)(H2,28,30,37)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50346726 (CHEMBL1797790) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C24H36BN5O6S3/c1-3-25(4-2)36-23(31)22(26)7-5-6-16-28-24(37)30-19-10-14-21(15-11-19)39(34,35)29-17-18-8-12-20(13-9-18)38(27,32)33/h8-15,22,29H,3-7,16-17,26H2,1-2H3,(H2,27,32,33)(H2,28,30,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	13.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
					More data for this Ligand-Target Pair