BDBM50068111 CHEMBL3402244

SMILES: [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1

InChI Key: InChIKey=BBCJBLNADOAKDK-LAXGTINGSA-N

Data: 2 KI  2 IC50

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 = 50068111   

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 2 (Homo sapiens (Human))	BDBM50068111 (CHEMBL3402244) Show SMILES [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C24H25NO5S/c1-16-7-13-20(14-8-16)31(28,29)25-23(26)21-18-9-11-19(12-10-18)22(21)24(27)30-15-17-5-3-2-4-6-17/h2-9,11,13-14,18-19,21-22H,10,12,15H2,1H3,(H,25,26)/t18-,19+,21?,22?/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	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 23: 2598-605 (2015) Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50068111 (CHEMBL3402244) Show SMILES [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C24H25NO5S/c1-16-7-13-20(14-8-16)31(28,29)25-23(26)21-18-9-11-19(12-10-18)22(21)24(27)30-15-17-5-3-2-4-6-17/h2-9,11,13-14,18-19,21-22H,10,12,15H2,1H3,(H,25,26)/t18-,19+,21?,22?/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	186	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-1 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 23: 2598-605 (2015) Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50068111 (CHEMBL3402244) Show SMILES [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C24H25NO5S/c1-16-7-13-20(14-8-16)31(28,29)25-23(26)21-18-9-11-19(12-10-18)22(21)24(27)30-15-17-5-3-2-4-6-17/h2-9,11,13-14,18-19,21-22H,10,12,15H2,1H3,(H,25,26)/t18-,19+,21?,22?/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	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-2 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry				Bioorg Med Chem 23: 2598-605 (2015) Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50068111 (CHEMBL3402244) Show SMILES [H][C@@]12CC[C@@]([H])(C=C1)C(C2C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C24H25NO5S/c1-16-7-13-20(14-8-16)31(28,29)25-23(26)21-18-9-11-19(12-10-18)22(21)24(27)30-15-17-5-3-2-4-6-17/h2-9,11,13-14,18-19,21-22H,10,12,15H2,1H3,(H,25,26)/t18-,19+,21?,22?/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	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA-1 using p-nitro-phenylacetate as substrate after 3 mins by UV-Vis spectrophotometry				Bioorg Med Chem 23: 2598-605 (2015) Article DOI: 10.1016/j.bmc.2014.12.054 BindingDB Entry DOI: 10.7270/Q2959K7Q
					More data for this Ligand-Target Pair