Compile Data Set for Download or QSAR

Found 2730 hits with Last Name = 'ito' and Initial = 'r'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057433 (CHEMBL278806 | [2-(5-Fluoro-chroman-8-yloxy)-ethyl...) Show SMILES COc1ccc(CCCCNCCOc2ccc(F)c3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-18-9-7-17(8-10-18)5-2-3-13-24-14-16-26-21-12-11-20(23)19-6-4-15-27-22(19)21/h7-12,24H,2-6,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057432 (CHEMBL25215 | [2-(Chroman-8-yloxy)-ethyl]-[4-(4-me...) Show SMILES COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065562 (CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1 Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065578 (CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20| Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065555 (CHEMBL96578 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...) Show SMILES COc1ccc(CCNCCOc2cc(F)cc3CCC(C)Oc23)cc1 Show InChI InChI=1S/C21H26FNO3/c1-15-3-6-17-13-18(22)14-20(21(17)26-15)25-12-11-23-10-9-16-4-7-19(24-2)8-5-16/h4-5,7-8,13-15,23H,3,6,9-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM85052 (BIM 23197 | BIM-23197) Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)N[S](=O)(=O)CCN1CCN(CCO)CC1 Show InChI InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Thyroid hormone receptor alpha (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assay				Proc Natl Acad Sci U S A 104: 15490-5 (2007) Article DOI: 10.1073/pnas.0702759104 BindingDB Entry DOI: 10.7270/Q2JW8DPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50019568 (Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057436 (CHEMBL25213 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065573 (CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1 Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057434 (8-{2-[4-(4-Methoxy-phenyl)-butylamino]-ethoxy}-chr...) Show SMILES COc1ccc(CCCCNCCOc2cc(O)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065578 (CHEMBL419147 | [2-(6-Fluoro-2H-chromen-8-yloxy)-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C=CCOc23)cc1 |c:20| Show InChI InChI=1S/C22H26FNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h4,6-10,15-16,24H,2-3,5,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065573 (CHEMBL96222 | [2-(6-Fluoro-2-methyl-chroman-8-ylox...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)Oc23)cc1 Show InChI InChI=1S/C23H30FNO3/c1-17-6-9-19-15-20(24)16-22(23(19)28-17)27-14-13-25-12-4-3-5-18-7-10-21(26-2)11-8-18/h7-8,10-11,15-17,25H,3-6,9,12-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.312	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50370683 (CHEMBL1169543) Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 |r,wD:20.24,3.2,THB:2:3:7.6:9.10,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4.18,3.72,;-5.76,3.08,;-7.14,3.75,;-6.88,2.32,;-5.51,1.68,;-5.61,0,;-6.05,1.14,;,1.54,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,)| Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM85051 (BIM-23190) Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCO)CC1 Show InChI InChI=1S/C57H79N13O12S2/c1-3-40-51(76)66-47(57(82)68-49(34(2)72)50(59)75)33-84-83-32-46(67-53(78)43(27-35-11-5-4-6-12-35)61-48(74)31-70-23-21-69(22-24-70)25-26-71)56(81)64-44(28-36-16-18-38(73)19-17-36)54(79)65-45(29-37-30-60-41-14-8-7-13-39(37)41)55(80)63-42(52(77)62-40)15-9-10-20-58/h4-8,11-14,16-19,30,34,40,42-47,49,60,71-73H,3,9-10,15,20-29,31-33,58H2,1-2H3,(H2,59,75)(H,61,74)(H,62,77)(H,63,80)(H,64,81)(H,65,79)(H,66,76)(H,67,78)(H,68,82)/t34-,40+,42+,43-,44+,45-,46+,47+,49+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057429 (CHEMBL22328 | [2-(7-Fluoro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2c(F)ccc3CCCOc23)cc1 Show InChI InChI=1S/C22H28FNO3/c1-25-19-10-7-17(8-11-19)5-2-3-13-24-14-16-27-22-20(23)12-9-18-6-4-15-26-21(18)22/h7-12,24H,2-6,13-16H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18869 (2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...) Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay				Proc Natl Acad Sci U S A 104: 15490-5 (2007) Article DOI: 10.1073/pnas.0702759104 BindingDB Entry DOI: 10.7270/Q2JW8DPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50063839 (BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...) Show SMILES CC(O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM82465 (BIM 23023 | BIM-23023 | D-Phe-L-Cys(1)-L-Tyr-D-Trp...) Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 Show InChI InChI=1S/C49H65N11O10S2/c1-3-34-44(65)59-40(49(70)60-41(27(2)61)42(52)63)26-72-71-25-39(58-43(64)33(51)21-28-11-5-4-6-12-28)48(69)56-37(22-29-16-18-31(62)19-17-29)46(67)57-38(23-30-24-53-35-14-8-7-13-32(30)35)47(68)55-36(45(66)54-34)15-9-10-20-50/h4-8,11-14,16-19,24,27,33-34,36-41,53,61-62H,3,9-10,15,20-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,64)(H,59,65)(H,60,70)/t27-,33-,34+,36+,37+,38-,39+,40+,41+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50065562 (CHEMBL96279 | [2-(6-Fluoro-2,2-dimethyl-chroman-8-...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3CCC(C)(C)Oc23)cc1 Show InChI InChI=1S/C24H32FNO3/c1-24(2)12-11-19-16-20(25)17-22(23(19)29-24)28-15-14-26-13-5-4-6-18-7-9-21(27-3)10-8-18/h7-10,16-17,26H,4-6,11-15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.435	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor on rat hippocampus using [3H]-8-OH-DPAT as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057428 (CHEMBL22682 | [2-(6-Chloro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(Cl)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28ClNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Thyroid hormone receptor beta (Homo sapiens (Human))	BDBM18860 ((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...) Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r| Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assay				Proc Natl Acad Sci U S A 104: 15490-5 (2007) Article DOI: 10.1073/pnas.0702759104 BindingDB Entry DOI: 10.7270/Q2JW8DPH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50059090 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1 Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057432 (CHEMBL25215 | [2-(Chroman-8-yloxy)-ethyl]-[4-(4-me...) Show SMILES COc1ccc(CCCCNCCOc2cccc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated against Dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand; ND = Not determined				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065563 (6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1 Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50065563 (6-Fluoro-8-{2-[4-(4-methoxy-phenyl)-butylamino]-et...) Show SMILES COc1ccc(CCCCNCCOc2cc(F)cc3C(O)CCOc23)cc1 Show InChI InChI=1S/C22H28FNO4/c1-26-18-7-5-16(6-8-18)4-2-3-10-24-11-13-27-21-15-17(23)14-19-20(25)9-12-28-22(19)21/h5-8,14-15,20,24-25H,2-4,9-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2 on rat striatum using [3H]-spiperone as radioligand.				J Med Chem 41: 2765-78 (1998) Article DOI: 10.1021/jm9707840 BindingDB Entry DOI: 10.7270/Q2K073CQ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM82470 (3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057431 (CHEMBL21475 | [4-(4-Methoxy-phenyl)-butyl]-[2-(6-m...) Show SMILES COc1ccc(CCCCNCCOc2cc(C)cc3CCCOc23)cc1 Show InChI InChI=1S/C23H31NO3/c1-18-16-20-7-5-14-27-23(20)22(17-18)26-15-13-24-12-4-3-6-19-8-10-21(25-2)11-9-19/h8-11,16-17,24H,3-7,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50258672 (CHEMBL513681 | [4-(2,3,4,5-Tetrahydro-1,3-dimethyl...) Show SMILES Cn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(COC(=O)Nc2ccsc2)cc1 Show InChI InChI=1S/C20H18N4O4S/c1-23-16-9-15(22-17(16)18(25)24(2)20(23)27)13-5-3-12(4-6-13)10-28-19(26)21-14-7-8-29-11-14/h3-9,11,22H,10H2,1-2H3,(H,21,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...				Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50370683 (CHEMBL1169543) Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 |r,wD:20.24,3.2,THB:2:3:7.6:9.10,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4.18,3.72,;-5.76,3.08,;-7.14,3.75,;-6.88,2.32,;-5.51,1.68,;-5.61,0,;-6.05,1.14,;,1.54,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,)| Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 using [3H]N-methylscopolamine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM50019568 (Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50175574 ((S)-1-Thiophen-3-yl-3,4-dihydro-1H-isoquinoline-2-...) Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccsc1 |wD:3.2,(.51,-2.2,;.49,-.66,;1.8,.13,;3.16,-.61,;3.17,-2.17,;4.51,-2.92,;5.18,-1.77,;3.76,-1.12,;4.46,.18,;5.82,-.58,;5.84,-2.12,;-.76,.07,;-.81,1.61,;-2.16,2.35,;-3.47,1.52,;-4.76,2.23,;-6.03,1.47,;-6.01,-.01,;-4.7,-.73,;-3.41,-.02,;-2.05,-.73,;-2.01,-2.27,;-3.24,-3.22,;-2.7,-4.67,;-1.16,-4.6,;-.74,-3.13,)| Show InChI InChI=1S/C21H24N2O2S/c24-21(25-19-13-22-9-5-16(19)6-10-22)23-11-7-15-3-1-2-4-18(15)20(23)17-8-12-26-14-17/h1-4,8,12,14,16,19-20H,5-7,9-11,13H2/t19-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50282641 (CHEMBL4160732) Show SMILES CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(O[C@@H](C)C(=O)N2CCN(CC2)c2nc3ccc(Cl)cc3s2)cc1 |r| Show InChI InChI=1S/C30H31ClN6O4S/c1-4-11-37-24-17-23(32-26(24)28(39)34(3)30(37)40)19-5-8-21(9-6-19)41-18(2)27(38)35-12-14-36(15-13-35)29-33-22-10-7-20(31)16-25(22)42-29/h5-10,16-18,32H,4,11-15H2,1-3H3/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...				Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50563230 (CHEMBL4754949) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CSCCSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC2=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC(CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC1=O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O)C(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Displacement of Eu3+-labelled H2 relaxin from human RXFP1 expressed in human HEK-293T cells in presence of 10 % FCS by competition binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01533 BindingDB Entry DOI: 10.7270/Q2XW4PHG
					More data for this Ligand-Target Pair
Somatostatin receptor type 5 (Homo sapiens (Human))	BDBM82253 (BIM 23052 | CAS_133073-82-2) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50282638 (CHEMBL4175851) Show SMILES C[C@H](Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)Nc1ccc(Br)cc1 |r| Show InChI InChI=1S/C23H21BrN4O4/c1-13(21(29)25-16-8-6-15(24)7-9-16)32-17-10-4-14(5-11-17)18-12-19-20(26-18)22(30)28(3)23(31)27(19)2/h4-13,26H,1-3H3,(H,25,29)/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...				Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50057428 (CHEMBL22682 | [2-(6-Chloro-chroman-8-yloxy)-ethyl]...) Show SMILES COc1ccc(CCCCNCCOc2cc(Cl)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H28ClNO3/c1-25-20-9-7-17(8-10-20)5-2-3-11-24-12-14-26-21-16-19(23)15-18-6-4-13-27-22(18)21/h7-10,15-16,24H,2-6,11-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50175570 ((S)-1-Phenyl-3,4-dihydro-1H-isoquinoline-2-carboxy...) Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 |wD:3.2,(1.1,-.87,;1.08,.67,;2.4,1.47,;3.75,.72,;3.75,-.83,;5.11,-1.58,;5.78,-.43,;4.36,.23,;5.06,1.51,;6.42,.76,;6.44,-.78,;-.18,1.42,;-.23,2.96,;-1.58,3.69,;-2.89,2.87,;-4.19,3.58,;-5.47,2.82,;-5.45,1.33,;-4.13,.61,;-2.83,1.33,;-1.47,.6,;-1.54,-.89,;-.18,-1.62,;-.16,-3.17,;-1.47,-3.98,;-2.83,-3.21,;-2.86,-1.69,)| Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
					More data for this Ligand-Target Pair
Somatostatin receptor type 3 (Homo sapiens (Human))	BDBM50019568 (Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50175581 (Benzhydryl-carbamic acid 1-aza-bicyclo[2.2.2]oct-3...) Show SMILES O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 |(1.67,-1.57,;1.69,-.03,;.37,.76,;-.93,.04,;-2.2,.81,;-2.19,2.29,;-3.45,3.05,;-4.76,2.33,;-4.78,.84,;-3.5,.09,;-.95,-1.5,;-2.31,-2.25,;-2.33,-3.79,;-1,-4.59,;.35,-3.83,;.36,-2.29,;3.05,.72,;4.37,-.08,;4.33,-1.62,;5.66,-2.41,;6.36,-1.29,;4.96,-.59,;5.71,.67,;7.03,-.12,;6.99,-1.67,)| Show InChI InChI=1S/C21H24N2O2/c24-21(25-19-15-23-13-11-16(19)12-14-23)22-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50019568 (Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...) Show SMILES C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cedars-Sinai Research Institute Curated by PDSP Ki Database									J Clin Invest 99: 789-98 (1997) Article DOI: 10.1172/JCI119225 BindingDB Entry DOI: 10.7270/Q2H70DCK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057434 (8-{2-[4-(4-Methoxy-phenyl)-butylamino]-ethoxy}-chr...) Show SMILES COc1ccc(CCCCNCCOc2cc(O)cc3CCCOc23)cc1 Show InChI InChI=1S/C22H29NO4/c1-25-20-9-7-17(8-10-20)5-2-3-11-23-12-14-26-21-16-19(24)15-18-6-4-13-27-22(18)21/h7-10,15-16,23-24H,2-6,11-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057431 (CHEMBL21475 | [4-(4-Methoxy-phenyl)-butyl]-[2-(6-m...) Show SMILES COc1ccc(CCCCNCCOc2cc(C)cc3CCCOc23)cc1 Show InChI InChI=1S/C23H31NO3/c1-18-16-20-7-5-14-27-23(20)22(17-18)26-15-13-24-12-4-3-6-19-8-10-21(25-2)11-9-19/h8-11,16-17,24H,3-7,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50057435 (CHEMBL25663 | [2-(6-Methoxy-chroman-8-yloxy)-ethyl...) Show SMILES COc1ccc(CCCCNCCOc2cc(OC)cc3CCCOc23)cc1 Show InChI InChI=1S/C23H31NO4/c1-25-20-10-8-18(9-11-20)6-3-4-12-24-13-15-27-22-17-21(26-2)16-19-7-5-14-28-23(19)22/h8-11,16-17,24H,3-7,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using [3H]- spiperone				J Med Chem 40: 1252-7 (1997) Article DOI: 10.1021/jm960760d BindingDB Entry DOI: 10.7270/Q20R9Q26
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50175575 (1-Thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carb...) Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 |wD:3.2,(-1.66,-4.44,;-1.68,-2.9,;-.37,-2.1,;.99,-2.85,;1,-4.4,;2.34,-5.15,;3.01,-4,;1.6,-3.35,;2.3,-2.06,;3.65,-2.81,;3.68,-4.35,;-2.94,-2.16,;-2.98,-.62,;-4.34,.12,;-5.64,-.71,;-6.94,.02,;-8.21,-.76,;-8.19,-2.24,;-6.88,-2.95,;-5.58,-2.25,;-4.23,-2.97,;-4.18,-4.49,;-5.41,-5.45,;-4.87,-6.9,;-3.33,-6.84,;-2.91,-5.36,)| Show InChI InChI=1S/C21H24N2O2S/c24-21(25-18-14-22-10-7-16(18)8-11-22)23-12-9-15-4-1-2-5-17(15)20(23)19-6-3-13-26-19/h1-6,13,16,18,20H,7-12,14H2/t18-,20?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine				J Med Chem 48: 6597-606 (2005) Article DOI: 10.1021/jm050099q BindingDB Entry DOI: 10.7270/Q2NP257C
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50282631 (CHEMBL4175454) Show SMILES C[C@H](Oc1ccc(cc1)-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(=O)N1CCN(CC1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C28H31N5O4/c1-18-5-9-21(10-6-18)32-13-15-33(16-14-32)26(34)19(2)37-22-11-7-20(8-12-22)23-17-24-25(29-23)27(35)31(4)28(36)30(24)3/h5-12,17,19,29H,13-16H2,1-4H3/t19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual de Feira de Santana Curated by ChEMBL					Assay Description Antagonist activity at Adenosine receptor subtype 2B in human RBC assessed as change in erythrocyte morphology incubated for 3 hrs with occasional ge...				Eur J Med Chem 136: 487-496 (2017) Article DOI: 10.1016/j.ejmech.2017.05.035 BindingDB Entry DOI: 10.7270/Q2RJ4N1S
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 2730 total )  |  Next  |  Last  >>

Jump to: