BDBM50433839 CHEMBL2382405

SMILES: CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=DLDDCGAZVYQHHN-UHFFFAOYSA-N

Data: 4 KI  2 IC50  1 Kd

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 7 hits for monomerid = 50433839   

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))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay				Bioorg Med Chem 24: 3643-8 (2016) BindingDB Entry DOI: 10.7270/Q27S7QQG
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay				Bioorg Med Chem 24: 3643-8 (2016) BindingDB Entry DOI: 10.7270/Q27S7QQG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide...				Bioorg Med Chem 24: 3643-8 (2016) BindingDB Entry DOI: 10.7270/Q27S7QQG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs at 4 degC measured for 10 to 100 secs by stopped-flow carbon dioxide hydration assay				Bioorg Med Chem 24: 3643-8 (2016) BindingDB Entry DOI: 10.7270/Q27S7QQG
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Binding affinity to human recombinant carboxy-terminal avi-tagged LDHA (1 to 331) expressed in Escherichia coli by surface plasmon resonance analysis...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal his-tagged LDHA (1 to 331) expressed in Escherichia coli using pyruvate as substrate after 10 mins b...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human))	BDBM50433839 (CHEMBL2382405) Show SMILES CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H21N5O5S2/c1-3-18(21(29)25-14-7-9-16(10-8-14)34(24,30)31)33-22-26-19(17(12-23)20(28)27-22)13-5-4-6-15(11-13)32-2/h4-11,18H,3H2,1-2H3,(H,25,29)(H2,24,30,31)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal his-tagged LDHB (1 to 333) expressed in insect cells using pyruvate as substrate after 10 mins by UV...				Bioorg Med Chem Lett 23: 3186-94 (2013) Article DOI: 10.1016/j.bmcl.2013.04.001 BindingDB Entry DOI: 10.7270/Q29C6ZTT
					More data for this Ligand-Target Pair