BDBM50234449 CHEMBL4078596

SMILES: [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O

InChI Key: InChIKey=ISJWIYIDVJBCDZ-OKILXGFUSA-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 = 50234449   

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))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	296	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50234449 (CHEMBL4078596) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3| Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	973	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay				Bioorg Med Chem 25: 1666-1671 (2017) BindingDB Entry DOI: 10.7270/Q2C53P22
					More data for this Ligand-Target Pair