Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50002736   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462249 (CHEMBL4246204) Show SMILES CCOC(=O)c1nnn(c1-c1ccc(C)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N4O4S/c1-3-26-18(23)16-17(13-6-4-12(2)5-7-13)22(21-20-16)14-8-10-15(11-9-14)27(19,24)25/h4-11H,3H2,1-2H3,(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462244 (CHEMBL4246543) Show SMILES CCOC(=O)c1nnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15ClN4O4S/c1-2-26-17(23)15-16(11-3-5-12(18)6-4-11)22(21-20-15)13-7-9-14(10-8-13)27(19,24)25/h3-10H,2H2,1H3,(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462255 (CHEMBL4247010) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(CO)c1-c1cccs1 Show InChI InChI=1S/C13H12N4O3S2/c14-22(19,20)10-5-3-9(4-6-10)17-13(11(8-18)15-16-17)12-2-1-7-21-12/h1-7,18H,8H2,(H2,14,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462256 (CHEMBL4247127) Show SMILES NC(=O)c1nnn(c1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H12FN5O3S/c16-10-3-1-9(2-4-10)14-13(15(17)22)19-20-21(14)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,17,22)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462269 (CHEMBL4244744) Show SMILES NC(=O)c1nnn(c1-c1ccccn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H12N6O3S/c15-14(21)12-13(11-3-1-2-8-17-11)20(19-18-12)9-4-6-10(7-5-9)24(16,22)23/h1-8H,(H2,15,21)(H2,16,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462247 (CHEMBL4248394) Show SMILES NNC(=O)c1nnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13ClN6O3S/c16-10-3-1-9(2-4-10)14-13(15(23)19-17)20-21-22(14)11-5-7-12(8-6-11)26(18,24)25/h1-8H,17H2,(H,19,23)(H2,18,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462265 (CHEMBL4238246) Show SMILES CCOC(=O)c1nnn(c1-c1cccs1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N4O4S2/c1-2-23-15(20)13-14(12-4-3-9-24-12)19(18-17-13)10-5-7-11(8-6-10)25(16,21)22/h3-9H,2H2,1H3,(H2,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462268 (CHEMBL4240831) Show SMILES NC(=O)c1nnn(c1-c1cccs1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H11N5O3S2/c14-13(19)11-12(10-2-1-7-22-10)18(17-16-11)8-3-5-9(6-4-8)23(15,20)21/h1-7H,(H2,14,19)(H2,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462264 (CHEMBL4245748) Show SMILES CCOC(=O)c1nnn(c1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15FN4O4S/c1-2-26-17(23)15-16(11-3-5-12(18)6-4-11)22(21-20-15)13-7-9-14(10-8-13)27(19,24)25/h3-10H,2H2,1H3,(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462266 (CHEMBL4238832) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(CO)c1-c1ccccn1 Show InChI InChI=1S/C14H13N5O3S/c15-23(21,22)11-6-4-10(5-7-11)19-14(13(9-20)17-18-19)12-3-1-2-8-16-12/h1-8,20H,9H2,(H2,15,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462267 (CHEMBL4251418) Show SMILES NC(=O)c1nnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H12ClN5O3S/c16-10-3-1-9(2-4-10)14-13(15(17)22)19-20-21(14)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,17,22)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462253 (CHEMBL4250970) Show SMILES NNC(=O)c1nnn(c1-c1cccs1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C13H12N6O3S2/c14-16-13(20)11-12(10-2-1-7-23-10)19(18-17-11)8-3-5-9(6-4-8)24(15,21)22/h1-7H,14H2,(H,16,20)(H2,15,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462258 (CHEMBL4244142) Show SMILES NNC(=O)c1nnn(c1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13FN6O3S/c16-10-3-1-9(2-4-10)14-13(15(23)19-17)20-21-22(14)11-5-7-12(8-6-11)26(18,24)25/h1-8H,17H2,(H,19,23)(H2,18,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462251 (CHEMBL4248709) Show SMILES CCOC(=O)c1nnn(c1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15BrN4O4S/c1-2-26-17(23)15-16(11-3-5-12(18)6-4-11)22(21-20-15)13-7-9-14(10-8-13)27(19,24)25/h3-10H,2H2,1H3,(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	174	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462263 (CHEMBL4246936) Show SMILES Cc1ccc(cc1)-c1c(nnn1-c1ccc(cc1)S(N)(=O)=O)C(N)=O Show InChI InChI=1S/C16H15N5O3S/c1-10-2-4-11(5-3-10)15-14(16(17)22)19-20-21(15)12-6-8-13(9-7-12)25(18,23)24/h2-9H,1H3,(H2,17,22)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462270 (CHEMBL4240383) Show SMILES NNC(=O)c1nnn(c1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13BrN6O3S/c16-10-3-1-9(2-4-10)14-13(15(23)19-17)20-21-22(14)11-5-7-12(8-6-11)26(18,24)25/h1-8H,17H2,(H,19,23)(H2,18,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462250 (CHEMBL4239935) Show SMILES CCOC(=O)c1nnn(c1-c1ccccn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N5O4S/c1-2-25-16(22)14-15(13-5-3-4-10-18-13)21(20-19-14)11-6-8-12(9-7-11)26(17,23)24/h3-10H,2H2,1H3,(H2,17,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	232	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462259 (CHEMBL4243345) Show SMILES NC(=O)c1nnn(c1-c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H12BrN5O3S/c16-10-3-1-9(2-4-10)14-13(15(17)22)19-20-21(14)11-5-7-12(8-6-11)25(18,23)24/h1-8H,(H2,17,22)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462252 (CHEMBL4248681) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(CO)c1-c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN4O3S/c16-11-3-1-10(2-4-11)15-14(9-21)18-19-20(15)12-5-7-13(8-6-12)24(17,22)23/h1-8,21H,9H2,(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462262 (CHEMBL4247007) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(O)=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H11ClN4O4S/c16-10-3-1-9(2-4-10)14-13(15(21)22)18-19-20(14)11-5-7-12(8-6-11)25(17,23)24/h1-8H,(H,21,22)(H2,17,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462260 (CHEMBL4242770) Show SMILES Cc1ccc(cc1)-c1c(nnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NN Show InChI InChI=1S/C16H16N6O3S/c1-10-2-4-11(5-3-10)15-14(16(23)19-17)20-21-22(15)12-6-8-13(9-7-12)26(18,24)25/h2-9H,17H2,1H3,(H,19,23)(H2,18,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462246 (CHEMBL4244589) Show SMILES NNC(=O)c1nnn(c1-c1ccccn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H13N7O3S/c15-18-14(22)12-13(11-3-1-2-8-17-11)21(20-19-12)9-4-6-10(7-5-9)25(16,23)24/h1-8H,15H2,(H,18,22)(H2,16,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	478	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462245 (CHEMBL4238069) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(O)=O)c1-c1cccs1 Show InChI InChI=1S/C13H10N4O4S2/c14-23(20,21)9-5-3-8(4-6-9)17-12(10-2-1-7-22-10)11(13(18)19)15-16-17/h1-7H,(H,18,19)(H2,14,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462272 (CHEMBL4250388) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(CO)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClN4O3S/c16-11-3-1-10(2-4-11)15-14(9-21)18-19-20(15)12-5-7-13(8-6-12)24(17,22)23/h1-8,21H,9H2,(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	554	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462254 (CHEMBL4250368) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(O)=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C15H11FN4O4S/c16-10-3-1-9(2-4-10)14-13(15(21)22)18-19-20(14)11-5-7-12(8-6-11)25(17,23)24/h1-8H,(H,21,22)(H2,17,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462271 (CHEMBL4244032) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(CO)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrN4O3S/c16-11-3-1-10(2-4-11)15-14(9-21)18-19-20(15)12-5-7-13(8-6-12)24(17,22)23/h1-8,21H,9H2,(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	656	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462248 (CHEMBL4247158) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(O)=O)c1-c1ccccn1 Show InChI InChI=1S/C14H11N5O4S/c15-24(22,23)10-6-4-9(5-7-10)19-13(11-3-1-2-8-16-11)12(14(20)21)17-18-19/h1-8H,(H,20,21)(H2,15,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	881	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462261 (CHEMBL4248617) Show SMILES Cc1ccc(cc1)-c1c(CO)nnn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H16N4O3S/c1-11-2-4-12(5-3-11)16-15(10-21)18-19-20(16)13-6-8-14(9-7-13)24(17,22)23/h2-9,21H,10H2,1H3,(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	916	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462257 (CHEMBL4243927) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nnc(C(O)=O)c1-c1ccc(Br)cc1 Show InChI InChI=1S/C15H11BrN4O4S/c16-10-3-1-9(2-4-10)14-13(15(21)22)18-19-20(14)11-5-7-12(8-6-11)25(17,23)24/h1-8H,(H,21,22)(H2,17,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50462273 (CHEMBL4242394) Show SMILES Cc1ccc(cc1)-c1c(nnn1-c1ccc(cc1)S(N)(=O)=O)C(O)=O Show InChI InChI=1S/C16H14N4O4S/c1-10-2-4-11(5-3-10)15-14(16(21)22)18-19-20(15)12-6-8-13(9-7-12)25(17,23)24/h2-9H,1H3,(H,21,22)(H2,17,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of cytosolic human carbonic anhydrase 1 by stopped flow CO2 hydration assay				Eur J Med Chem 150: 678-686 (2018) Article DOI: 10.1016/j.ejmech.2018.03.030 BindingDB Entry DOI: 10.7270/Q2T43WR6
					More data for this Ligand-Target Pair