BDBM50503814 CHEMBL4558457

SMILES: Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1

InChI Key: InChIKey=UBNGBOPIZHLQTJ-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 = 50503814   

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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.610	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 anhydrase 2 (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	0.150	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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	0.0650	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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.300	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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	0.320	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 V (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.0630	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 anhydrases; II & IX (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	1.40E+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 V (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	770	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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	7.00E+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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.10E+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 2 (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	5.40E+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 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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	2.50E+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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	1.00E+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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	0.380	n/a	n/a	n/a	n/a	n/a
Kaunas University of Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant human 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 (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	0.630	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))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	PDB UniProtKB/SwissProt 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 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 (Homo sapiens (Human))	BDBM50503814 (CHEMBL4558457) Show SMILES Cc1cc(cc(C)c1S(N)(=O)=O)N1CC(CC1=O)c1n[nH]c(=S)n1-c1ccccc1 Show InChI InChI=1S/C20H21N5O3S2/c1-12-8-16(9-13(2)18(12)30(21,27)28)24-11-14(10-17(24)26)19-22-23-20(29)25(19)15-6-4-3-5-7-15/h3-9,14H,10-11H2,1-2H3,(H,23,29)(H2,21,27,28)	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	0.340	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