BDBM50503793 CHEMBL4461481

SMILES: Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1

InChI Key: InChIKey=SQIXPRUJAUUIMS-UHFFFAOYSA-N

Data: 16 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 16 hits for monomerid = 50503793   

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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0110	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	0.0120	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.380	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	0.0350	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	0.960	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
Carbonic anhydrase (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	1.30	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	0.0110	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 anhydrase V (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0620	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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 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 2 (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	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 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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	1.10E+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 (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.30E+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 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 V (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	100	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	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 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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	100	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))	BDBM50503793 (CHEMBL4461481) Show SMILES Cc1cc(C)n(NC(=O)C2CN(C(=O)C2)c2cc(C)c(c(C)c2Cl)S(N)(=O)=O)n1 Show InChI InChI=1S/C18H22ClN5O4S/c1-9-5-14(16(19)12(4)17(9)29(20,27)28)23-8-13(7-15(23)25)18(26)22-24-11(3)6-10(2)21-24/h5-6,13H,7-8H2,1-4H3,(H,22,26)(H2,20,27,28)	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	25	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