Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'chaudhary' and Initial = 'a'   

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
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50084137 (2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...) Show SMILES Cc1cccc(n1)C#Cc1ccccc1 Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492667 (CHEMBL2407709) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492669 (CHEMBL2407710) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492665 (CHEMBL2407708) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1Cl Show InChI InChI=1S/C15H13ClN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492664 (CHEMBL2407711) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1Br Show InChI InChI=1S/C15H13BrN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					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	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492671 (CHEMBL2407713) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492672 (CHEMBL2407712) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(Br)c1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492673 (CHEMBL2216818) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1 Show InChI InChI=1S/C15H14N2O3S2/c16-22(19,20)13-8-6-12(7-9-13)17-14(18)10-21-15(17)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (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	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492671 (CHEMBL2407713) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492664 (CHEMBL2407711) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1Br Show InChI InChI=1S/C15H13BrN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492668 (CHEMBL2407707) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492670 (CHEMBL2407714) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1F Show InChI InChI=1S/C15H13FN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492668 (CHEMBL2407707) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492669 (CHEMBL2407710) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492665 (CHEMBL2407708) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1Cl Show InChI InChI=1S/C15H13ClN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492670 (CHEMBL2407714) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1F Show InChI InChI=1S/C15H13FN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492666 (CHEMBL2407715) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(F)c1 Show InChI InChI=1S/C15H13FN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50492666 (CHEMBL2407715) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(F)c1 Show InChI InChI=1S/C15H13FN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	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
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 9 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492673 (CHEMBL2216818) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1 Show InChI InChI=1S/C15H14N2O3S2/c16-22(19,20)13-8-6-12(7-9-13)17-14(18)10-21-15(17)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492673 (CHEMBL2216818) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1 Show InChI InChI=1S/C15H14N2O3S2/c16-22(19,20)13-8-6-12(7-9-13)17-14(18)10-21-15(17)11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492672 (CHEMBL2407712) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(Br)c1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50492667 (CHEMBL2407709) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 2 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					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	252	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492665 (CHEMBL2407708) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1Cl Show InChI InChI=1S/C15H13ClN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	737	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492669 (CHEMBL2407710) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	742	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492667 (CHEMBL2407709) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(Cl)c1 Show InChI InChI=1S/C15H13ClN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	838	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492664 (CHEMBL2407711) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1Br Show InChI InChI=1S/C15H13BrN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	936	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492670 (CHEMBL2407714) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccccc1F Show InChI InChI=1S/C15H13FN2O3S2/c16-13-4-2-1-3-12(13)15-18(14(19)9-22-15)10-5-7-11(8-6-10)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 2 (Homo sapiens (Human))	BDBM50030630 ((RS)-1-aminoindan-1,5-dicarboxylic acid | 1-Amino-...) Show SMILES NC1(CCc2cc(ccc12)C(O)=O)C(O)=O Show InChI InChI=1S/C11H11NO4/c12-11(10(15)16)4-3-6-5-7(9(13)14)1-2-8(6)11/h1-2,5H,3-4,12H2,(H,13,14)(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50030629 ((R,S)-4-Carboxy-3-hydroxyphenylglycine | (S)-4CPG ...) Show SMILES NC(C(O)=O)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492671 (CHEMBL2407713) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492668 (CHEMBL2407707) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H13FN2O3S2/c16-11-3-1-10(2-4-11)15-18(14(19)9-22-15)12-5-7-13(8-6-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492672 (CHEMBL2407712) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(Br)c1 Show InChI InChI=1S/C15H13BrN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50492666 (CHEMBL2407715) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(SCC1=O)c1cccc(F)c1 Show InChI InChI=1S/C15H13FN2O3S2/c16-11-3-1-2-10(8-11)15-18(14(19)9-22-15)12-4-6-13(7-5-12)23(17,20)21/h1-8,15H,9H2,(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Manipal College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of cytosolic carbonic anhydrase 1 (unknown origin) preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 66: 372-9 (2013) Article DOI: 10.1016/j.ejmech.2013.06.003 BindingDB Entry DOI: 10.7270/Q2K93BF3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (RAT)	BDBM86153 (CAS_180081 | MK-801 | NSC_180081) Show SMILES CC12NC(Cc3ccccc13)c1ccccc21 |TLB:9:10:2:11.16,6:5:2:11.16,THB:12:11:10.5.4:2,15:16:10.5.4:2| Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B (Rattus norvegicus (Rat))	BDBM50032651 (1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...) Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM86231 (ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...) Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (RAT)	BDBM86232 (Benoxathian | CAS_2325 | NSC_2325) Show SMILES COc1cccc(OC)c1OCCNCC1CSc2ccccc2O1 Show InChI InChI=1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM86230 (CAS_146-48-5 | NSC_2866 | YOHIMBINE) Show SMILES COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12 Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM22869 (6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...) Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202656 (US10245267, Example 1 | US10709712, Example 1 | US...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202686 (US10245267, Example 31 | US10709712, Example 31 | ...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(NCCO)n1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-5-6-19(30-23(35)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(33-8-11-36-12-9-33)32-24(31-21)29-7-10-34/h2-6,13-15,34H,7-12H2,1H3,(H,30,35)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50374938 (CHEMBL402163) Show SMILES [#6]S(=O)(=O)c1ccc(-c2noc(n2)-[#6@@H](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@H](-[#7])-[#6](\F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(Cl)c1 |r| Show InChI InChI=1S/C21H25ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h8-9,11-12,16,19H,2-7,10,24H2,1H3/t16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4 expressed in insect cell				Bioorg Med Chem Lett 18: 2409-13 (2008) Article DOI: 10.1016/j.bmcl.2008.02.050 BindingDB Entry DOI: 10.7270/Q2HD7WJ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM87998 (US10245267, Example 1029 | US10709712, Example 103...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O[C@H]2CCOC[C@H]2F)c(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H28F4N4O4/c1-17-22(13-21(15-33-17)35-26(37)18-3-2-4-20(11-18)28(30,31)32)19-12-24(36-6-9-38-10-7-36)27(34-14-19)40-25-5-8-39-16-23(25)29/h2-4,11-15,23,25H,5-10,16H2,1H3,(H,35,37)/t23-,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM202784 (US10245267, Example 131 | US10709712, Example 131 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM84365 (US10245267, Example 636 | US10709712, Example 636 ...) Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1 Show InChI InChI=1S/C27H28F3N5O4/c1-17-22(14-20(16-31-17)32-25(36)18-3-2-4-19(13-18)27(28,29)30)23-15-24(35-7-11-38-12-8-35)26(34-33-23)39-21-5-9-37-10-6-21/h2-4,13-16,21H,5-12H2,1H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio...				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full-length BRAF (unknown origin)				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 313 total )  |  Next  |  Last  >>

Jump to: