Compile Data Set for Download or QSAR

Found 1284 hits with Last Name = 'chae' and Initial = 's'   

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 receptor A2a (Homo sapiens (Human))	BDBM50364063 (CHEMBL1950649) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)| Show InChI InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB 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 [3H]CGS21680 from adenosine A2A receptor in rat brain striatum				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50385634 (CHEMBL2043295) Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	114	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]-AB-MECA from human recombinant adenosine A3 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50385632 (CHEMBL2043427) Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	289	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50385634 (CHEMBL2043295) Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50385632 (CHEMBL2043427) Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50385634 (CHEMBL2043295) Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	541	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50403047 (CHEMBL1231568) Show SMILES CCOC(=O)CCN(C(=O)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1)c1ccccn1 Show InChI InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
caprotec bioanalytics GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured a...				J Med Chem 55: 3934-44 (2012) Article DOI: 10.1021/jm3001339 BindingDB Entry DOI: 10.7270/Q25T3MNJ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50385632 (CHEMBL2043427) Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50385634 (CHEMBL2043295) Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50385632 (CHEMBL2043427) Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50385633 (CHEMBL2043428) Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50385633 (CHEMBL2043428) Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50385633 (CHEMBL2043428) Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50385632 (CHEMBL2043427) Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50385633 (CHEMBL2043428) Show SMILES Nc1nc(SCC(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C12H15N5O6S/c13-9-6-10(16-12(15-9)24-2-5(19)20)17(3-14-6)11-8(22)7(21)4(1-18)23-11/h3-4,7-8,11,18,21-22H,1-2H2,(H,19,20)(H2,13,15,16)/t4-,7-,8-,11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatum				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50385634 (CHEMBL2043295) Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50385632 (CHEMBL2043427) Show SMILES Nc1nc(SCCc2ccc(cc2)C(O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H21N5O6S/c20-15-12-16(24(8-21-12)17-14(27)13(26)11(7-25)30-17)23-19(22-15)31-6-5-9-1-3-10(4-2-9)18(28)29/h1-4,8,11,13-14,17,25-27H,5-7H2,(H,28,29)(H2,20,22,23)/t11-,13-,14-,17-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50385631 (CHEMBL2043426) Show SMILES Nc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)S(=O)(=O)CCc1ccc(cc1)S(O)(=O)=O |r| Show InChI InChI=1S/C18H21N5O9S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)32-17)22-18(21-15)33(27,28)6-5-9-1-3-10(4-2-9)34(29,30)31/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,29,30,31)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50385634 (CHEMBL2043295) Show SMILES Nc1nc(SCCc2ccc(cc2)S(O)(=O)=O)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N5O7S2/c19-15-12-16(23(8-20-12)17-14(26)13(25)11(7-24)30-17)22-18(21-15)31-6-5-9-1-3-10(4-2-9)32(27,28)29/h1-4,8,11,13-14,17,24-26H,5-7H2,(H2,19,21,22)(H,27,28,29)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM35804 ((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12 Show InChI InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation assay				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50112086 (3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
caprotec bioanalytics GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured a...				J Med Chem 55: 3934-44 (2012) Article DOI: 10.1021/jm3001339 BindingDB Entry DOI: 10.7270/Q25T3MNJ
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Rattus norvegicus)	BDBM50241203 (CHEMBL414357 | HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGS...) Show SMILES [H][C@](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
SungKyunKwan University Curated by ChEMBL					Assay Description Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting				J Med Chem 52: 6889-96 (2009) Article DOI: 10.1021/jm901153x BindingDB Entry DOI: 10.7270/Q2RJ4JNM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Rattus norvegicus)	BDBM50314037 (CHEMBL1092704) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C208H319N49O65S/c1-19-106(10)169(199(315)237-132(58-65-165(284)285)185(301)241-138(82-114-89-219-123-42-27-26-41-118(114)123)189(305)239-134(77-102(2)3)187(303)229-124(43-28-30-69-209)180(296)242-139(87-154(212)269)176(292)222-91-156(271)220-95-160(275)254-72-33-46-146(254)195(311)247-143(98-260)194(310)246-142(97-259)177(293)224-92-157(272)226-109(13)202(318)256-74-35-48-148(256)204(320)257-75-36-49-149(257)203(319)255-73-34-47-147(255)196(312)245-141(96-258)172(213)288)252-190(306)136(80-112-37-22-20-23-38-112)240-188(304)135(78-103(4)5)238-181(297)126(45-32-71-218-206(214)215)236-198(314)168(105(8)9)251-173(289)108(12)227-178(294)129(55-62-162(278)279)232-183(299)130(56-63-163(280)281)233-184(300)131(57-64-164(282)283)234-186(302)133(67-76-323-18)235-182(298)128(53-59-153(211)268)231-179(295)125(44-29-31-70-217-155(270)60-50-107(11)119-51-52-120-167-121(86-152(267)208(119,120)17)207(16)68-66-117(265)83-115(207)84-150(167)266)230-192(308)144(99-261)248-197(313)151(79-104(6)7)322-205(321)140(88-166(286)287)244-193(309)145(100-262)249-201(317)171(111(15)264)253-191(307)137(81-113-39-24-21-25-40-113)243-200(316)170(110(14)263)250-159(274)94-223-175(291)127(54-61-161(276)277)228-158(273)93-221-174(290)122(210)85-116-90-216-101-225-116/h20-27,37-42,89-90,101-111,115,117,119-122,124-152,167-171,219,258-267H,19,28-36,43-88,91-100,209-210H2,1-18H3,(H2,211,268)(H2,212,269)(H2,213,288)(H,216,225)(H,217,270)(H,220,271)(H,221,290)(H,222,292)(H,223,291)(H,224,293)(H,226,272)(H,227,294)(H,228,273)(H,229,303)(H,230,308)(H,231,295)(H,232,299)(H,233,300)(H,234,302)(H,235,298)(H,236,314)(H,237,315)(H,238,297)(H,239,305)(H,240,304)(H,241,301)(H,242,296)(H,243,316)(H,244,309)(H,245,312)(H,246,310)(H,247,311)(H,248,313)(H,249,317)(H,250,274)(H,251,289)(H,252,306)(H,253,307)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H4,214,215,218)/t106-,107+,108-,109-,110+,111+,115-,117+,119+,120-,121-,122-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150+,151-,152-,167-,168-,169-,170-,171-,207-,208+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
SungKyunKwan University Curated by ChEMBL					Assay Description Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting				J Med Chem 52: 6889-96 (2009) Article DOI: 10.1021/jm901153x BindingDB Entry DOI: 10.7270/Q2RJ4JNM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Rattus norvegicus)	BDBM50314036 (CHEMBL1092373) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C208H319N49O65S/c1-19-106(10)169(199(315)237-132(58-65-165(284)285)185(301)241-138(82-114-89-219-123-42-27-26-41-118(114)123)189(305)239-134(77-102(2)3)187(303)229-125(44-29-31-70-217-155(270)60-50-107(11)119-51-52-120-167-121(86-152(267)208(119,120)17)207(16)68-66-117(265)83-115(207)84-150(167)266)180(296)242-139(87-154(212)269)176(292)222-91-156(271)220-95-160(275)254-72-33-46-146(254)195(311)247-143(98-260)194(310)246-142(97-259)177(293)224-92-157(272)226-109(13)202(318)256-74-35-48-148(256)204(320)257-75-36-49-149(257)203(319)255-73-34-47-147(255)196(312)245-141(96-258)172(213)288)252-190(306)136(80-112-37-22-20-23-38-112)240-188(304)135(78-103(4)5)238-181(297)126(45-32-71-218-206(214)215)236-198(314)168(105(8)9)251-173(289)108(12)227-178(294)129(55-62-162(278)279)232-183(299)130(56-63-163(280)281)233-184(300)131(57-64-164(282)283)234-186(302)133(67-76-323-18)235-182(298)128(53-59-153(211)268)231-179(295)124(43-28-30-69-209)230-192(308)144(99-261)248-197(313)151(79-104(6)7)322-205(321)140(88-166(286)287)244-193(309)145(100-262)249-201(317)171(111(15)264)253-191(307)137(81-113-39-24-21-25-40-113)243-200(316)170(110(14)263)250-159(274)94-223-175(291)127(54-61-161(276)277)228-158(273)93-221-174(290)122(210)85-116-90-216-101-225-116/h20-27,37-42,89-90,101-111,115,117,119-122,124-152,167-171,219,258-267H,19,28-36,43-88,91-100,209-210H2,1-18H3,(H2,211,268)(H2,212,269)(H2,213,288)(H,216,225)(H,217,270)(H,220,271)(H,221,290)(H,222,292)(H,223,291)(H,224,293)(H,226,272)(H,227,294)(H,228,273)(H,229,303)(H,230,308)(H,231,295)(H,232,299)(H,233,300)(H,234,302)(H,235,298)(H,236,314)(H,237,315)(H,238,297)(H,239,305)(H,240,304)(H,241,301)(H,242,296)(H,243,316)(H,244,309)(H,245,312)(H,246,310)(H,247,311)(H,248,313)(H,249,317)(H,250,274)(H,251,289)(H,252,306)(H,253,307)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H4,214,215,218)/t106-,107+,108-,109-,110+,111+,115-,117+,119+,120-,121-,122-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150+,151-,152-,167-,168-,169-,170-,171-,207-,208+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
SungKyunKwan University Curated by ChEMBL					Assay Description Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting				J Med Chem 52: 6889-96 (2009) Article DOI: 10.1021/jm901153x BindingDB Entry DOI: 10.7270/Q2RJ4JNM
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50136774 (6-amino-18-(4-aminobutyl)-9,24-dibenzyl-12-(4-hydr...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)[C@@H](C)c1ccc2ccccc2c1 Show InChI InChI=1S/C57H69N9O11S2/c1-33(39-23-22-38-17-9-10-18-40(38)30-39)48-55(74)60-43(19-11-12-26-58)51(70)66-49(34(2)67)56(75)63-45(28-36-15-7-4-8-16-36)53(72)64-47(57(76)77)32-79-78-31-42(59)50(69)61-44(27-35-13-5-3-6-14-35)52(71)62-46(54(73)65-48)29-37-20-24-41(68)25-21-37/h3-10,13-18,20-25,30,33-34,42-49,67-68H,11-12,19,26-29,31-32,58-59H2,1-2H3,(H,60,74)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H,66,70)(H,76,77)/t33-,34+,42+,43-,44+,45-,46-,47-,48+,49+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity at human Somatostatin receptor type 4 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.				J Med Chem 46: 5587-96 (2003) Article DOI: 10.1021/jm0302445 BindingDB Entry DOI: 10.7270/Q2FX7B50
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Rattus norvegicus)	BDBM50314039 (CHEMBL1092706) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C208H319N49O64S/c1-19-107(10)169(199(314)237-134(60-67-166(283)284)185(300)241-140(84-115-90-219-125-42-27-26-41-119(115)125)189(304)239-136(79-103(2)3)187(302)229-127(44-29-31-72-217-156(269)62-50-108(11)121-53-54-122-120-52-51-116-85-118(265)68-70-207(116,16)123(120)87-153(266)208(121,122)17)180(295)242-141(88-155(212)268)176(291)222-92-157(270)220-96-161(274)254-74-33-46-148(254)195(310)247-145(99-260)194(309)246-144(98-259)177(292)224-93-158(271)226-110(13)202(317)256-76-35-48-150(256)204(319)257-77-36-49-151(257)203(318)255-75-34-47-149(255)196(311)245-143(97-258)172(213)287)252-190(305)138(82-113-37-22-20-23-38-113)240-188(303)137(80-104(4)5)238-181(296)128(45-32-73-218-206(214)215)236-198(313)168(106(8)9)251-173(288)109(12)227-178(293)131(57-64-163(277)278)232-183(298)132(58-65-164(279)280)233-184(299)133(59-66-165(281)282)234-186(301)135(69-78-322-18)235-182(297)130(55-61-154(211)267)231-179(294)126(43-28-30-71-209)230-192(307)146(100-261)248-197(312)152(81-105(6)7)321-205(320)142(89-167(285)286)244-193(308)147(101-262)249-201(316)171(112(15)264)253-191(306)139(83-114-39-24-21-25-40-114)243-200(315)170(111(14)263)250-160(273)95-223-175(290)129(56-63-162(275)276)228-159(272)94-221-174(289)124(210)86-117-91-216-102-225-117/h20-27,37-42,90-91,102-112,116,118,120-124,126-153,168-171,219,258-266H,19,28-36,43-89,92-101,209-210H2,1-18H3,(H2,211,267)(H2,212,268)(H2,213,287)(H,216,225)(H,217,269)(H,220,270)(H,221,289)(H,222,291)(H,223,290)(H,224,292)(H,226,271)(H,227,293)(H,228,272)(H,229,302)(H,230,307)(H,231,294)(H,232,298)(H,233,299)(H,234,301)(H,235,297)(H,236,313)(H,237,314)(H,238,296)(H,239,304)(H,240,303)(H,241,300)(H,242,295)(H,243,315)(H,244,308)(H,245,311)(H,246,309)(H,247,310)(H,248,312)(H,249,316)(H,250,273)(H,251,288)(H,252,305)(H,253,306)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H4,214,215,218)/t107-,108+,109-,110-,111+,112+,116+,118+,120-,121+,122-,123-,124-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,168-,169-,170-,171-,207-,208+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
SungKyunKwan University Curated by ChEMBL					Assay Description Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting				J Med Chem 52: 6889-96 (2009) Article DOI: 10.1021/jm901153x BindingDB Entry DOI: 10.7270/Q2RJ4JNM
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Rattus norvegicus)	BDBM50314041 (CHEMBL1092708) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C208H319N49O63S/c1-19-108(10)169(199(313)237-135(60-67-166(282)283)185(299)241-141(86-116-91-219-126-42-27-26-41-120(116)126)189(303)239-137(81-104(2)3)187(301)229-128(44-29-31-74-217-156(268)62-50-109(11)122-53-54-123-121-52-51-117-87-119(265)68-71-207(117,16)124(121)69-72-208(122,123)17)180(294)242-142(89-155(212)267)176(290)222-93-157(269)220-97-161(273)254-76-33-46-149(254)195(309)247-146(100-260)194(308)246-145(99-259)177(291)224-94-158(270)226-111(13)202(316)256-78-35-48-151(256)204(318)257-79-36-49-152(257)203(317)255-77-34-47-150(255)196(310)245-144(98-258)172(213)286)252-190(304)139(84-114-37-22-20-23-38-114)240-188(302)138(82-105(4)5)238-181(295)129(45-32-75-218-206(214)215)236-198(312)168(107(8)9)251-173(287)110(12)227-178(292)132(57-64-163(276)277)232-183(297)133(58-65-164(278)279)233-184(298)134(59-66-165(280)281)234-186(300)136(70-80-321-18)235-182(296)131(55-61-154(211)266)231-179(293)127(43-28-30-73-209)230-192(306)147(101-261)248-197(311)153(83-106(6)7)320-205(319)143(90-167(284)285)244-193(307)148(102-262)249-201(315)171(113(15)264)253-191(305)140(85-115-39-24-21-25-40-115)243-200(314)170(112(14)263)250-160(272)96-223-175(289)130(56-63-162(274)275)228-159(271)95-221-174(288)125(210)88-118-92-216-103-225-118/h20-27,37-42,91-92,103-113,117,119,121-125,127-153,168-171,219,258-265H,19,28-36,43-90,93-102,209-210H2,1-18H3,(H2,211,266)(H2,212,267)(H2,213,286)(H,216,225)(H,217,268)(H,220,269)(H,221,288)(H,222,290)(H,223,289)(H,224,291)(H,226,270)(H,227,292)(H,228,271)(H,229,301)(H,230,306)(H,231,293)(H,232,297)(H,233,298)(H,234,300)(H,235,296)(H,236,312)(H,237,313)(H,238,295)(H,239,303)(H,240,302)(H,241,299)(H,242,294)(H,243,314)(H,244,307)(H,245,310)(H,246,308)(H,247,309)(H,248,311)(H,249,315)(H,250,272)(H,251,287)(H,252,304)(H,253,305)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H4,214,215,218)/t108-,109+,110-,111-,112+,113+,117+,119+,121-,122+,123-,124-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,168-,169-,170-,171-,207-,208+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
SungKyunKwan University Curated by ChEMBL					Assay Description Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting				J Med Chem 52: 6889-96 (2009) Article DOI: 10.1021/jm901153x BindingDB Entry DOI: 10.7270/Q2RJ4JNM
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50136784 (6-amino-18-(4-aminobutyl)-9,24-dibenzyl-12-(4-hydr...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C56H67N9O11S2/c1-33(66)48-55(74)63-45(28-35-15-6-3-7-16-35)53(72)64-47(56(75)76)32-78-77-31-41(58)49(68)60-43(27-34-13-4-2-5-14-34)51(70)61-44(29-36-22-24-39(67)25-23-36)52(71)62-46(30-38-19-12-18-37-17-8-9-20-40(37)38)54(73)59-42(50(69)65-48)21-10-11-26-57/h2-9,12-20,22-25,33,41-48,66-67H,10-11,21,26-32,57-58H2,1H3,(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)(H,75,76)/t33-,41+,42+,43-,44+,45+,46?,47-,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity at human Somatostatin receptor type 4 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.				J Med Chem 46: 5587-96 (2003) Article DOI: 10.1021/jm0302445 BindingDB Entry DOI: 10.7270/Q2FX7B50
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50458125 (CHEMBL4217352) Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50458125 (CHEMBL4217352) Show SMILES OP(O)(=O)Cc1ccc(NC(=O)C2CCN(CC2)C(=O)OCc2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-16(6-8-25)20(26)24-19-3-1-14(2-4-19)13-32(28,29)30/h1-4,9-11,16H,5-8,12-13H2,(H,24,26)(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of ENPP2 in human A2058 cells using LPC as substrate preincubated for 15 mins followed by substrate addition measured after 3 hrs by LC-MS...				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50136778 (6-amino-18-(4-aminobutyl)-9,24-dibenzyl-12-(4-hydr...) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)C(Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O Show InChI InChI=1S/C56H67N9O11S2/c1-33(66)48-55(74)63-45(28-35-15-6-3-7-16-35)53(72)64-47(56(75)76)32-78-77-31-41(58)49(68)60-43(27-34-13-4-2-5-14-34)51(70)61-44(29-36-22-24-39(67)25-23-36)52(71)62-46(30-38-19-12-18-37-17-8-9-20-40(37)38)54(73)59-42(50(69)65-48)21-10-11-26-57/h2-9,12-20,22-25,33,41-48,66-67H,10-11,21,26-32,57-58H2,1H3,(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)(H,75,76)/t33-,41-,42+,43-,44+,45+,46?,47-,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Salk Institute Curated by ChEMBL					Assay Description Binding affinity at human Somatostatin receptor type 4 by [125I][Leu8,D-Trp22,Tyr25]SRIF-28 displacement.				J Med Chem 46: 5587-96 (2003) Article DOI: 10.1021/jm0302445 BindingDB Entry DOI: 10.7270/Q2FX7B50
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50458132 (CHEMBL4205127) Show SMILES OP(O)(=O)Cc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H23Cl2N2O6P/c22-17-9-15(10-18(23)11-17)12-31-21(27)25-7-5-19(6-8-25)24-20(26)16-3-1-14(2-4-16)13-32(28,29)30/h1-4,9-11,19H,5-8,12-13H2,(H,24,26)(H2,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibition of human ENPP2 using FS3 as substrate measured every 5 mins for 30 mins by fluorescence assay				Eur J Med Chem 148: 397-409 (2018) Article DOI: 10.1016/j.ejmech.2018.02.049 BindingDB Entry DOI: 10.7270/Q2VH5RGT
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2F76HDX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489343 (Example 10-1 | US10961242, Compound 61 | US1154888...) Show SMILES CCOc1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C25H27N9O2/c1-2-36-24-20(13-34(31-24)15-23(35)33-8-7-21-22(14-33)30-32-29-21)18-11-26-25(27-12-18)28-19-9-16-5-3-4-6-17(16)10-19/h3-6,11-13,19H,2,7-10,14-15H2,1H3,(H,26,27,28)(H,29,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489360 (Example 10-15 | US10961242, Compound 75) Show SMILES OC(=O)c1nn(CC(=O)N2CCc3[nH]nnc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C24H23N9O3/c34-21(32-6-5-19-20(12-32)29-31-28-19)13-33-11-18(22(30-33)23(35)36)16-9-25-24(26-10-16)27-17-7-14-3-1-2-4-15(14)8-17/h1-4,9-11,17H,5-8,12-13H2,(H,35,36)(H,25,26,27)(H,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021) BindingDB Entry DOI: 10.7270/Q27084JN
					More data for this Ligand-Target Pair

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