Compile Data Set for Download or QSAR

Found 4051 hits with Last Name = 'deshpande' and Initial = 'm'   

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
Adenosine deaminase (Bos taurus (bovine))	BDBM50451174 (CHEMBL4202457) Show SMILES C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H18BrN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451177 (CHEMBL4210264) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)6-5-11-3-2-4-12(7-11)17(18,19)20/h2-4,7-10,13,26H,5-6H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451169 (CHEMBL4207346) Show SMILES C[C@H](O)[C@@H](CCc1cccc(F)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H18FN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451139 (CHEMBL4204605) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)NC1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(29)18(28-13-26-19-20(23)24-12-25-21(19)28)10-9-15-5-4-6-16(11-15)22(30)27-17-7-2-3-8-17/h4-6,11-14,17-18,29H,2-3,7-10H2,1H3,(H,27,30)(H2,23,24,25)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451140 (CHEMBL4216271) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H24N6O2/c1-12(26)15(25-11-23-16-17(20)21-10-22-18(16)25)8-7-13-5-4-6-14(9-13)19(27)24(2)3/h4-6,9-12,15,26H,7-8H2,1-3H3,(H2,20,21,22)/t12-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451167 (CHEMBL4206823) Show SMILES C[C@H](O)[C@@H](CCC1CCCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H25N5O/c1-11(22)13(8-7-12-5-3-2-4-6-12)21-10-20-14-15(17)18-9-19-16(14)21/h9-13,22H,2-8H2,1H3,(H2,17,18,19)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451164 (CHEMBL4208941) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1cnccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H21N7O/c1-13(28)17(27-12-26-18-19(21)24-11-25-20(18)27)6-5-14-3-2-4-15(9-14)16-10-22-7-8-23-16/h2-4,7-13,17,28H,5-6H2,1H3,(H2,21,24,25)/t13-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451168 (CHEMBL4211702) Show SMILES CCc1ccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)s1 |r| Show InChI InChI=1S/C16H21N5OS/c1-3-11-4-5-12(23-11)6-7-13(10(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h4-5,8-10,13,22H,3,6-7H2,1-2H3,(H2,17,18,19)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451173 (CHEMBL4214254) Show SMILES COC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C18H21N5O3/c1-11(24)14(23-10-22-15-16(19)20-9-21-17(15)23)7-6-12-4-3-5-13(8-12)18(25)26-2/h3-5,8-11,14,24H,6-7H2,1-2H3,(H2,19,20,21)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM28393 ((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...) Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine deaminase (Bos taurus (bovine))	BDBM50451138 (CHEMBL4203116) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H26N6O2/c1-14(28)17(27-13-25-18-19(22)23-12-24-20(18)27)8-7-15-5-4-6-16(11-15)21(29)26-9-2-3-10-26/h4-6,11-14,17,28H,2-3,7-10H2,1H3,(H2,22,23,24)/t14-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451165 (CHEMBL4204068) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1ccccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C21H22N6O/c1-14(28)18(27-13-26-19-20(22)24-12-25-21(19)27)9-8-15-5-4-6-16(11-15)17-7-2-3-10-23-17/h2-7,10-14,18,28H,8-9H2,1H3,(H2,22,24,25)/t14-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451166 (CHEMBL4209345) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1nccs1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H20N6OS/c1-12(26)15(25-11-24-16-17(20)22-10-23-18(16)25)6-5-13-3-2-4-14(9-13)19-21-7-8-27-19/h2-4,7-12,15,26H,5-6H2,1H3,(H2,20,22,23)/t12-,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451141 (CHEMBL4216791) Show SMILES CNC(=O)c1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C18H22N6O2/c1-11(25)14(24-10-23-15-16(19)21-9-22-17(15)24)7-6-12-4-3-5-13(8-12)18(26)20-2/h3-5,8-11,14,25H,6-7H2,1-2H3,(H,20,26)(H2,19,21,22)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451142 (CHEMBL4211824) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(N)=O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H20N6O2/c1-10(24)13(6-5-11-3-2-4-12(7-11)16(19)25)23-9-22-14-15(18)20-8-21-17(14)23/h2-4,7-10,13,24H,5-6H2,1H3,(H2,19,25)(H2,18,20,21)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451158 (CHEMBL4218202) Show SMILES C[C@H](O)[C@@H](CCc1cccc(CO)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H21N5O2/c1-11(24)14(6-5-12-3-2-4-13(7-12)8-23)22-10-21-15-16(18)19-9-20-17(15)22/h2-4,7,9-11,14,23-24H,5-6,8H2,1H3,(H2,18,19,20)/t11-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451171 (CHEMBL4214511) Show SMILES C[C@H](O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)7-4-11-2-5-12(6-3-11)17(18,19)20/h2-3,5-6,8-10,13,26H,4,7H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451178 (CHEMBL4203469) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)6-5-11-3-2-4-12(7-11)16(17,18)19/h2-4,7-10,14,23H,5-6H2,1H3,(H2,20,24)/t10-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451170 (CHEMBL4214658) Show SMILES C[C@H](O)[C@@H](CCc1ccccc1C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)7-6-11-4-2-3-5-12(11)17(18,19)20/h2-5,8-10,13,26H,6-7H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50386376 (CHEMBL2046865) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C29H34N4O3/c30-29(31)32-20-8-7-13-25(26(35)19-16-21-14-17-24(34)18-15-21)33-28(36)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,14-15,17-18,25,27,34H,7-8,13,16,19-20H2,(H,33,36)(H4,30,31,32)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]peptideYY from NPY1 receptor in human SK-N-MC cells after 1 hr by scintillation counting				ACS Med Chem Lett 3: 222-226 (2012) Article DOI: 10.1021/ml200265m BindingDB Entry DOI: 10.7270/Q2ZP475V
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451133 (CHEMBL4218610) Show SMILES C[C@H](O)[C@@H](CSc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H16F3N5OS/c1-9(25)12(24-8-23-13-14(20)21-7-22-15(13)24)6-26-11-4-2-3-10(5-11)16(17,18)19/h2-5,7-9,12,25H,6H2,1H3,(H2,20,21,22)/t9-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451172 (CHEMBL4215142) Show SMILES C[C@H](O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C16H18F3N3O2/c1-10(23)14(22-8-13(15(20)24)21-9-22)7-4-11-2-5-12(6-3-11)16(17,18)19/h2-3,5-6,8-10,14,23H,4,7H2,1H3,(H2,20,24)/t10-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451134 (CHEMBL4206867) Show SMILES C[C@H](O)[C@@H](CSc1cccc(C)c1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H19N5OS/c1-10-4-3-5-12(6-10)23-7-13(11(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h3-6,8-9,11,13,22H,7H2,1-2H3,(H2,17,18,19)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451159 (CHEMBL4205307) Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(O)=O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H19N5O3/c1-10(23)13(6-5-11-3-2-4-12(7-11)17(24)25)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H,24,25)(H2,18,19,20)/t10-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451137 (CHEMBL4207993) Show SMILES CCCCSC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H21N5OS/c1-3-4-5-20-6-10(9(2)19)18-8-17-11-12(14)15-7-16-13(11)18/h7-10,19H,3-6H2,1-2H3,(H2,14,15,16)/t9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451135 (CHEMBL4206350) Show SMILES C[C@H](O)[C@@H](CSc1ccccc1C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H19N5OS/c1-10-5-3-4-6-13(10)23-7-12(11(2)22)21-9-20-14-15(17)18-8-19-16(14)21/h3-6,8-9,11-12,22H,7H2,1-2H3,(H2,17,18,19)/t11-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451100 (CHEMBL4208733) Show SMILES CC(C)(O)[C@@H](CCc1ccc(cc1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C18H20F3N5O/c1-17(2,27)13(26-10-25-14-15(22)23-9-24-16(14)26)8-5-11-3-6-12(7-4-11)18(19,20)21/h3-4,6-7,9-10,13,27H,5,8H2,1-2H3,(H2,22,23,24)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Adenosine deaminase (Bos taurus (bovine))	BDBM50451136 (CHEMBL4211238) Show SMILES C[C@H](O)[C@@H](CSc1ccccc1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H17N5OS/c1-10(21)12(7-22-11-5-3-2-4-6-11)20-9-19-13-14(16)17-8-18-15(13)20/h2-6,8-10,12,21H,7H2,1H3,(H2,16,17,18)/t10-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition				Bioorg Med Chem 25: 5799-5819 (2017) Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004610 (2-(2-{2-[2-(2-{[1-(2-Acetylamino-3-hydroxy-propion...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C38H60N12O11/c1-20(2)30(36(60)45-23(31(40)55)13-14-29(39)54)49-34(58)26(18-51)48-32(56)24(11-7-15-43-38(41)42)46-33(57)25(17-22-9-5-4-6-10-22)47-35(59)28-12-8-16-50(28)37(61)27(19-52)44-21(3)53/h4-6,9-10,20,23-28,30,51-52H,7-8,11-19H2,1-3H3,(H2,39,54)(H2,40,55)(H,44,53)(H,45,60)(H,46,57)(H,47,59)(H,48,56)(H,49,58)(H4,41,42,43)/t23-,24-,25-,26-,27-,28-,30-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004613 (1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(N)=O Show InChI InChI=1S/C33H52N10O9/c1-18(2)26(27(34)47)42-30(50)23(16-44)41-28(48)21(11-7-13-37-33(35)36)39-29(49)22(15-20-9-5-4-6-10-20)40-31(51)25-12-8-14-43(25)32(52)24(17-45)38-19(3)46/h4-6,9-10,18,21-26,44-45H,7-8,11-17H2,1-3H3,(H2,34,47)(H,38,46)(H,39,49)(H,40,51)(H,41,48)(H,42,50)(H4,35,36,37)/t21-,22-,23-,24-,25-,26-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004609 (2-{2-[2-(2-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-a...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C35H55N11O9/c1-19(2)28(34(55)41-22(29(37)50)13-14-27(36)49)45-32(53)25(18-47)44-30(51)23(11-7-15-40-35(38)39)42-31(52)24(17-21-9-5-4-6-10-21)43-33(54)26-12-8-16-46(26)20(3)48/h4-6,9-10,19,22-26,28,47H,7-8,11-18H2,1-3H3,(H2,36,49)(H2,37,50)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H4,38,39,40)/t22-,23-,24-,25-,26-,28-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004605 (1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-...) Show SMILES CC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C28H43N9O8/c1-16(40)33-21(15-39)27(45)37-12-6-10-22(37)26(44)35-19(13-17-7-3-2-4-8-17)25(43)34-18(9-5-11-32-28(30)31)24(42)36-20(14-38)23(29)41/h2-4,7-8,18-22,38-39H,5-6,9-15H2,1H3,(H2,29,41)(H,33,40)(H,34,43)(H,35,44)(H,36,42)(H4,30,31,32)/t18-,19-,20-,21-,22-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004611 (2-(2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C30H48N10O8/c1-16(2)24(29(48)37-19(25(32)44)11-12-23(31)43)40-28(47)22(15-41)39-26(45)20(10-7-13-35-30(33)34)38-27(46)21(36-17(3)42)14-18-8-5-4-6-9-18/h4-6,8-9,16,19-22,24,41H,7,10-15H2,1-3H3,(H2,31,43)(H2,32,44)(H,36,42)(H,37,48)(H,38,46)(H,39,45)(H,40,47)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004607 (1-Acetyl-pyrrolidine-2-carboxylic acid (1-{1-[1-(1...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(N)=O Show InChI InChI=1S/C30H47N9O7/c1-17(2)24(25(31)42)38-28(45)22(16-40)37-26(43)20(11-7-13-34-30(32)33)35-27(44)21(15-19-9-5-4-6-10-19)36-29(46)23-12-8-14-39(23)18(3)41/h4-6,9-10,17,20-24,40H,7-8,11-16H2,1-3H3,(H2,31,42)(H,35,44)(H,36,46)(H,37,43)(H,38,45)(H4,32,33,34)/t20-,21-,22-,23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.66E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004606 (2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C25H40N8O6/c1-14(2)20(21(26)36)33-24(39)19(13-34)32-22(37)17(10-7-11-29-25(27)28)31-23(38)18(30-15(3)35)12-16-8-5-4-6-9-16/h4-6,8-9,14,17-20,34H,7,10-13H2,1-3H3,(H2,26,36)(H,30,35)(H,31,38)(H,32,37)(H,33,39)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004614 (1-Acetyl-pyrrolidine-2-carboxylic acid {1-[1-(1-ca...) Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C25H38N8O6/c1-15(35)33-12-6-10-20(33)24(39)31-18(13-16-7-3-2-4-8-16)23(38)30-17(9-5-11-29-25(27)28)22(37)32-19(14-34)21(26)36/h2-4,7-8,17-20,34H,5-6,9-14H2,1H3,(H2,26,36)(H,30,38)(H,31,39)(H,32,37)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.78E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004604 (2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid...) Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C20H31N7O5/c1-12(29)25-15(10-13-6-3-2-4-7-13)19(32)26-14(8-5-9-24-20(22)23)18(31)27-16(11-28)17(21)30/h2-4,6-7,14-16,28H,5,8-11H2,1H3,(H2,21,30)(H,25,29)(H,26,32)(H,27,31)(H4,22,23,24)/t14-,15-,16-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004608 (2-{2-[2-(2-Acetylamino-5-guanidino-pentanoylamino)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C21H39N9O7/c1-10(2)16(20(37)28-12(17(23)34)6-7-15(22)33)30-19(36)14(9-31)29-18(35)13(27-11(3)32)5-4-8-26-21(24)25/h10,12-14,16,31H,4-9H2,1-3H3,(H2,22,33)(H2,23,34)(H,27,32)(H,28,37)(H,29,35)(H,30,36)(H4,24,25,26)/t12-,13-,14-,16-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Kallikrein (Sus scrofa)	BDBM50004612 (1-(2-Acetylamino-3-hydroxy-propionyl)-pyrrolidine-...) Show SMILES CC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C25H38N8O6/c1-15(35)30-19(14-34)24(39)33-12-6-10-20(33)23(38)32-18(13-16-7-3-2-4-8-16)22(37)31-17(21(26)36)9-5-11-29-25(27)28/h2-4,7-8,17-20,34H,5-6,9-14H2,1H3,(H2,26,36)(H,30,35)(H,31,37)(H,32,38)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.29E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476941 (CHEMBL233363) Show SMILES C[C@H](CCc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H23Cl2NO3S/c1-17(7-8-18-5-3-2-4-6-18)26(23-15-21(25)10-9-19(23)16-27)30(28,29)22-13-11-20(24)12-14-22/h2-6,9-15,17,27H,7-8,16H2,1H3/t17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476939 (CHEMBL233364) Show SMILES CCCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2NO3S/c1-3-4-5-14(2)22(19-12-17(21)7-6-15(19)13-23)26(24,25)18-10-8-16(20)9-11-18/h6-12,14,23H,3-5,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476940 (CHEMBL233362) Show SMILES CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476947 (CHEMBL394661) Show SMILES CC(CCCF)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H20Cl2FNO3S/c1-13(3-2-10-21)22(18-11-16(20)5-4-14(18)12-23)26(24,25)17-8-6-15(19)7-9-17/h4-9,11,13,23H,2-3,10,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476919 (CHEMBL232948) Show SMILES CC(C1CCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H21Cl2NO3S/c1-13(14-3-2-4-14)22(19-11-17(21)6-5-15(19)12-23)26(24,25)18-9-7-16(20)8-10-18/h5-11,13-14,23H,2-4,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476912 (CHEMBL231714) Show SMILES CCN(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H15Cl2NO3S/c1-2-18(15-9-13(17)4-3-11(15)10-19)22(20,21)14-7-5-12(16)6-8-14/h3-9,19H,2,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476953 (CHEMBL232949) Show SMILES CC(C1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2NO3S/c1-14(15-4-2-3-5-15)23(20-12-18(22)7-6-16(20)13-24)27(25,26)19-10-8-17(21)9-11-19/h6-12,14-15,24H,2-5,13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476922 (CHEMBL391377) Show SMILES C[C@H](CC=C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H19Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h3,5-11,13,22H,1,4,12H2,2H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476957 (CHEMBL231767) Show SMILES CCCC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21Cl2NO3S/c1-3-4-13(2)21(18-11-16(20)6-5-14(18)12-22)25(23,24)17-9-7-15(19)8-10-17/h5-11,13,22H,3-4,12H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476917 (CHEMBL232152) Show SMILES CC(N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18Cl3NO3S/c1-14(15-2-5-17(22)6-3-15)25(21-12-19(24)7-4-16(21)13-26)29(27,28)20-10-8-18(23)9-11-20/h2-12,14,26H,13H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50476911 (CHEMBL394660) Show SMILES CC(C)CC(C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H23Cl2NO3S/c1-13(2)10-14(3)22(19-11-17(21)5-4-15(19)12-23)26(24,25)18-8-6-16(20)7-9-18/h4-9,11,13-14,23H,10,12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of gamma secretase-mediated beta-APP cleavage in human H4 cells assessed by measuring Abeta40 production by ELISA				Bioorg Med Chem Lett 17: 4432-6 (2007) Article DOI: 10.1016/j.bmcl.2007.06.022 BindingDB Entry DOI: 10.7270/Q2708465
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 4051 total )  |  Next  |  Last  >>

Jump to: