Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'ahmed' and Initial = 'h'   

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 7 (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 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	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230939 (CHEMBL4067135) Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230950 (CHEMBL4096684) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230942 (CHEMBL4085952) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C11H13N3O3S2/c12-19(16,17)9-3-1-8(2-4-9)5-6-13-11-14-10(15)7-18-11/h1-4H,5-7H2,(H2,12,16,17)(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230940 (CHEMBL4069845) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230937 (CHEMBL4095939) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C17H16ClN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230944 (CHEMBL4088398) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138535 (Benzyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-...) Show SMILES O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C22H26N6O5S/c29-17-15(10-32-22(34)23-8-13-4-2-1-3-5-13)33-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-31-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,34)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (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 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 MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230942 (CHEMBL4085952) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)CS2)cc1 Show InChI InChI=1S/C11H13N3O3S2/c12-19(16,17)9-3-1-8(2-4-9)5-6-13-11-14-10(15)7-18-11/h1-4H,5-7H2,(H2,12,16,17)(H,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230940 (CHEMBL4069845) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230932 (CHEMBL4103521) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230948 (CHEMBL4077244) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230947 (CHEMBL4078069) Show SMILES Cc1cc2\C(=N\CCc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 Show InChI InChI=1S/C18H19N3O3S/c1-11-9-12(2)16-15(10-11)17(18(22)21-16)20-8-7-13-3-5-14(6-4-13)25(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230944 (CHEMBL4088398) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230940 (CHEMBL4069845) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230932 (CHEMBL4103521) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230937 (CHEMBL4095939) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C17H16ClN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230950 (CHEMBL4096684) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138525 (CHEMBL358613 | Ethyl-thiocarbamic acid (2R,3S,4R)-...) Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C17H24N6O5S/c1-2-18-17(29)27-6-10-12(24)13(25)16(28-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-26-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,29)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230949 (CHEMBL4096121) Show SMILES COc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O4S/c1-24-12-4-7-15-14(10-12)16(17(21)20-15)19-9-8-11-2-5-13(6-3-11)25(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230939 (CHEMBL4067135) Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138524 (Allyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5...) Show SMILES O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H24N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h2,8-11,13-14,17,25-26H,1,3-7H2,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230933 (CHEMBL4085590) Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138540 (CHEMBL150676 | Isopropyl-thiocarbamic acid (2R,3S,...) Show SMILES CC(C)NC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O5S/c1-9(2)22-18(30)28-6-11-13(25)14(26)17(29-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-27-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,30)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10861 (4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...) Show SMILES NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230932 (CHEMBL4103521) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230944 (CHEMBL4088398) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230945 (CHEMBL4060777) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Br)cc23)cc1 Show InChI InChI=1S/C19H15BrN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230931 (CHEMBL4066127) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15-13-3-1-2-4-14(13)19-16(15)20/h1-8H,9-10H2,(H2,17,21,22)(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50230940 (CHEMBL4069845) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12 Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230949 (CHEMBL4096121) Show SMILES COc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C17H17N3O4S/c1-24-12-4-7-15-14(10-12)16(17(21)20-15)19-9-8-11-2-5-13(6-3-11)25(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230948 (CHEMBL4077244) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138527 (CHEMBL150348 | Methyl-thiocarbamic acid (2R,3S,4R)...) Show SMILES CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C16H22N6O5S/c1-17-16(28)26-5-9-11(23)12(24)15(27-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-25-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,28)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230934 (CHEMBL4088987) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C19H15ClN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50230948 (CHEMBL4077244) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138534 (CHEMBL149520 | Propyl-thiocarbamic acid (2R,3S,4R)...) Show SMILES CCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230947 (CHEMBL4078069) Show SMILES Cc1cc2\C(=N\CCc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 Show InChI InChI=1S/C18H19N3O3S/c1-11-9-12(2)16-15(10-11)17(18(22)21-16)20-8-7-13-3-5-14(6-4-13)25(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138541 (CHEMBL151050 | Ethyl-thiocarbamic acid (2R,3S,4R)-...) Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O5S/c1-2-19-17(30)28-6-9-11(25)12(26)15(29-9)24-7-20-10-13(21-8-3-4-27-5-8)22-16(18)23-14(10)24/h7-9,11-12,15,25-26H,2-6H2,1H3,(H,19,30)(H,21,22,23)/t8?,9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230938 (CHEMBL4069467) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1 Show InChI InChI=1S/C23H21N3O3S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)26(23(22)27)16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,24,28,29)/b25-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50230933 (CHEMBL4085590) Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50230948 (CHEMBL4077244) Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50230950 (CHEMBL4096684) Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12 Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50230933 (CHEMBL4085590) Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50138545 ((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity against rat Adenosine A1 receptor				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138536 (CHEMBL358227 | Methyl-thiocarbamic acid (2R,3S,4R)...) Show SMILES CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O5S/c1-18-16(29)27-5-8-10(24)11(25)14(28-8)23-6-19-9-12(20-7-2-3-26-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,29)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138544 (CHEMBL356610 | Cyclopentyl-thiocarbamic acid (2R,3...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C20H28N6O5S/c27-15-13(8-30-20(32)25-11-3-1-2-4-11)31-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-29-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,32)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (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 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	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 127: 521-530 (2017) Article DOI: 10.1016/j.ejmech.2017.01.017 BindingDB Entry DOI: 10.7270/Q2862JPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138547 (CHEMBL151169 | Isopropyl-carbamic acid (2R,3S,4R)-...) Show SMILES CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O6/c1-9(2)22-18(27)29-6-11-13(25)14(26)17(30-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-28-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,27)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair

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