BDBM50503796 CHEMBL4449149

SMILES: Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1

InChI Key: InChIKey=WPFRINFKBVFRCT-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 50503796   

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 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0930	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0930	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA2 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrases; II & IX (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA9 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA13 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) by DSF-based fluorescenc...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA6 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA7 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA4 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA1 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase V (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0410	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant full length N-terminal His6x-tagged human CA5B expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic di...				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503796 (CHEMBL4449149) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H23N5O4S/c1-10-5-15(6-11(2)17(10)28(19,26)27)22-9-14(8-16(22)24)18(25)21-23-13(4)7-12(3)20-23/h5-7,14H,8-9H2,1-4H3,(H,21,25)(H2,19,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human CA12 assessed as intrinsic dissociation constant by DSF-based fluorescence thermal shift assay				Bioorg Med Chem 27: 322-337 (2019) Article DOI: 10.1016/j.bmc.2018.12.011
					More data for this Ligand-Target Pair