Compile Data Set for Download or QSAR

Found 595 hits with Last Name = 'goetz' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341508 ((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341508 ((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341508 ((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132080 (Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Bombesin receptor subtype-3 (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to BRS-3 receptor (unknown origin)				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341511 (CHEMBL1765632 | N-(4-(4-Phenylbenzoylamino)butyl)-...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1Cc2cnn3cccc(C1)c23 Show InChI InChI=1S/C30H34N4O/c1-2-17-33(28-20-26-11-8-19-34-29(26)27(21-28)22-32-34)18-7-6-16-31-30(35)25-14-12-24(13-15-25)23-9-4-3-5-10-23/h3-5,8-15,19,22,28H,2,6-7,16-18,20-21H2,1H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341509 (CHEMBL1765630 | N-(4-(4-Phenylbenzoylamino)butyl)-...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCn2ncc(Cl)c2C1 Show InChI InChI=1S/C27H33ClN4O/c1-2-16-31(24-14-18-32-26(19-24)25(28)20-30-32)17-7-6-15-29-27(33)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,24H,2,6-7,14-19H2,1H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341508 ((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50132080 (Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to gastrin releasing peptide receptor (unknown origin)				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50341508 ((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341517 (CHEMBL1765638 | N-(4-((2,3-dihydro-1H-inden-2-yl)(...) Show SMILES CCCN(CCCCNC(=O)c1ccccc1-c1ccccc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C29H34N2O/c1-2-19-31(26-21-24-14-6-7-15-25(24)22-26)20-11-10-18-30-29(32)28-17-9-8-16-27(28)23-12-4-3-5-13-23/h3-9,12-17,26H,2,10-11,18-22H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417599 (CHEMBL1642758) Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341516 (CHEMBL1765637 | N-[(N'-Indan-2-yl-N'-propyl)-4-ami...) Show SMILES CCCN(CCCCNC(=O)Cc1ccccc1)C1Cc2ccccc2C1 Show InChI InChI=1S/C24H32N2O/c1-2-15-26(23-18-21-12-6-7-13-22(21)19-23)16-9-8-14-25-24(27)17-20-10-4-3-5-11-20/h3-7,10-13,23H,2,8-9,14-19H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50287709 ((E)-3-Carboxy-2-(16-sulfooxy-hexadecyl)-pent-2-ene...) Show SMILES OC(=O)C\C(C(O)=O)=C(\CCCCCCCCCCCCCCCCOS(O)(=O)=O)C(O)=O Show InChI InChI=1S/C22H38O10S/c23-20(24)17-19(22(27)28)18(21(25)26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-32-33(29,30)31/h1-17H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/b19-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents	Article	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of human recombinant Protein farnesyltransferase with respect to FPP				Bioorg Med Chem Lett 6: 2081-2084 (1996) Article DOI: 10.1016/0960-894X(96)00372-1 BindingDB Entry DOI: 10.7270/Q2222TQ1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50172506 (CHEMBL193337 | Dipropyl-(S)-4,5,6,7-tetrahydro-pyr...) Show SMILES CCCN(CCC)[C@H]1CCn2nccc2C1 Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417589 (CHEMBL1642747) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50341508 ((S)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341512 ((R)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417595 (CHEMBL1642754) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417594 (CHEMBL1642753) Show SMILES Cc1cc(ccc1CNC1Cc2ccccc2C1)N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C27H29N3O/c1-18-13-25(30-12-4-7-21-14-22(27(28)31)9-11-26(21)30)10-8-23(18)17-29-24-15-19-5-2-3-6-20(19)16-24/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Neuromedin-B receptor (Homo sapiens (Human))	BDBM50275902 (CHEMBL525577 | D-Phe-Gln-Trp-Ala-Val-b-Ala-His-Phe...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O |r| Show InChI InChI=1S/C57H76N14O10/c1-6-7-21-42(49(60)73)66-55(79)44(26-36-18-12-9-13-19-36)69-56(80)46(28-38-30-61-31-63-38)68-50(74)33(4)65-57(81)48(32(2)3)71-51(75)34(5)64-54(78)45(27-37-29-62-41-22-15-14-20-39(37)41)70-53(77)43(23-24-47(59)72)67-52(76)40(58)25-35-16-10-8-11-17-35/h8-20,22,29-34,40,42-46,48,62H,6-7,21,23-28,58H2,1-5H3,(H2,59,72)(H2,60,73)(H,61,63)(H,64,78)(H,65,81)(H,66,79)(H,67,76)(H,68,74)(H,69,80)(H,70,77)(H,71,75)/t33-,34+,40-,42+,43+,44+,45+,46+,48+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to neuromedin B receptor (unknown origin)				Bioorg Med Chem Lett 18: 5451-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.033 BindingDB Entry DOI: 10.7270/Q2H9952R
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417588 (CHEMBL1642746) Show SMILES CC1(C)CCC(CC1)NCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417600 (CHEMBL1642759) Show SMILES Cc1cc(CNCCC2=CCCCC2)ccc1N1CCCc2cc(ccc12)C(N)=O |t:8| Show InChI InChI=1S/C26H33N3O/c1-19-16-21(18-28-14-13-20-6-3-2-4-7-20)9-11-24(19)29-15-5-8-22-17-23(26(27)30)10-12-25(22)29/h6,9-12,16-17,28H,2-5,7-8,13-15,18H2,1H3,(H2,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50417599 (CHEMBL1642758) Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417590 (CHEMBL1642748) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccc(F)cc3C2)cc1 Show InChI InChI=1S/C26H26FN3O/c27-22-7-5-18-14-23(15-21(18)13-22)29-16-17-3-8-24(9-4-17)30-11-1-2-19-12-20(26(28)31)6-10-25(19)30/h3-10,12-13,23,29H,1-2,11,14-16H2,(H2,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50172506 (CHEMBL193337 | Dipropyl-(S)-4,5,6,7-tetrahydro-pyr...) Show SMILES CCCN(CCC)[C@H]1CCn2nccc2C1 Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341512 ((R)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417598 (CHEMBL1642757) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(Cl)c1 Show InChI InChI=1S/C26H26ClN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341512 ((R)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50417599 (CHEMBL1642758) Show SMILES Cc1cc(CNC2Cc3ccccc3C2)ccc1N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C27H29N3O/c1-18-13-19(17-29-24-15-20-5-2-3-6-21(20)16-24)8-10-25(18)30-12-4-7-22-14-23(27(28)31)9-11-26(22)30/h2-3,5-6,8-11,13-14,24,29H,4,7,12,15-17H2,1H3,(H2,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417596 (CHEMBL1642755) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1cc(F)c(CNC2Cc3ccccc3C2)c(F)c1 Show InChI InChI=1S/C26H25F2N3O/c27-23-13-21(31-9-3-6-18-10-19(26(29)32)7-8-25(18)31)14-24(28)22(23)15-30-20-11-16-4-1-2-5-17(16)12-20/h1-2,4-5,7-8,10,13-14,20,30H,3,6,9,11-12,15H2,(H2,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417585 (CHEMBL1642743) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccs2)cc1 Show InChI InChI=1S/C23H25N3OS/c24-23(27)19-7-10-22-18(15-19)3-1-13-26(22)20-8-5-17(6-9-20)16-25-12-11-21-4-2-14-28-21/h2,4-10,14-15,25H,1,3,11-13,16H2,(H2,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000787 ((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50417589 (CHEMBL1642747) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417584 (CHEMBL1642742) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCC2=CCCCC2)cc1 |t:23| Show InChI InChI=1S/C25H31N3O/c26-25(29)22-10-13-24-21(17-22)7-4-16-28(24)23-11-8-20(9-12-23)18-27-15-14-19-5-2-1-3-6-19/h5,8-13,17,27H,1-4,6-7,14-16,18H2,(H2,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50172506 (CHEMBL193337 | Dipropyl-(S)-4,5,6,7-tetrahydro-pyr...) Show SMILES CCCN(CCC)[C@H]1CCn2nccc2C1 Show InChI InChI=1S/C13H23N3/c1-3-8-15(9-4-2)12-6-10-16-13(11-12)5-7-14-16/h5,7,12H,3-4,6,8-11H2,1-2H3/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417587 (CHEMBL1642745) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCCc2cccc(F)c2)cc1 Show InChI InChI=1S/C25H26FN3O/c26-22-5-1-3-18(15-22)12-13-28-17-19-6-9-23(10-7-19)29-14-2-4-20-16-21(25(27)30)8-11-24(20)29/h1,3,5-11,15-16,28H,2,4,12-14,17H2,(H2,27,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341510 (CHEMBL1765631 | N-(4-(4-Phenylbenzoylamino)butyl)-...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCn2ncc(C=O)c2C1 Show InChI InChI=1S/C28H34N4O2/c1-2-16-31(26-14-18-32-27(19-26)25(21-33)20-30-32)17-7-6-15-29-28(34)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-13,20-21,26H,2,6-7,14-19H2,1H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50417589 (CHEMBL1642747) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C26H27N3O/c27-26(30)22-9-12-25-21(14-22)6-3-13-29(25)24-10-7-18(8-11-24)17-28-23-15-19-4-1-2-5-20(19)16-23/h1-2,4-5,7-12,14,23,28H,3,6,13,15-17H2,(H2,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417581 (CHEMBL1642739) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNCC2CCCCC2)cc1 Show InChI InChI=1S/C24H31N3O/c25-24(28)21-10-13-23-20(15-21)7-4-14-27(23)22-11-8-19(9-12-22)17-26-16-18-5-2-1-3-6-18/h8-13,15,18,26H,1-7,14,16-17H2,(H2,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132080 (Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50341509 (CHEMBL1765630 | N-(4-(4-Phenylbenzoylamino)butyl)-...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCn2ncc(Cl)c2C1 Show InChI InChI=1S/C27H33ClN4O/c1-2-16-31(24-14-18-32-26(19-24)25(28)20-30-32)17-7-6-15-29-27(33)23-12-10-22(11-13-23)21-8-4-3-5-9-21/h3-5,8-13,20,24H,2,6-7,14-19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50341515 (CHEMBL1765636 | N-[(N'-Indan-2-yl-N'-propyl)-4-ami...) Show SMILES CCCCC(=O)NCCCCN(CCC)C1Cc2ccccc2C1 Show InChI InChI=1S/C21H34N2O/c1-3-5-12-21(24)22-13-8-9-15-23(14-4-2)20-16-18-10-6-7-11-19(18)17-20/h6-7,10-11,20H,3-5,8-9,12-17H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50132080 (Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50341512 ((R)-N-(4-(4-Phenylbenzoylamino)butyl)-N-propyl-5-a...) Show SMILES CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)[C@@H]1CCn2nccc2C1 |r| Show InChI InChI=1S/C27H34N4O/c1-2-18-30(25-15-20-31-26(21-25)14-17-29-31)19-7-6-16-28-27(32)24-12-10-23(11-13-24)22-8-4-3-5-9-22/h3-5,8-14,17,25H,2,6-7,15-16,18-21H2,1H3,(H,28,32)/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]7-OH-DPAT from human dopamine D2long receptor expressed in CHO cells after 60 mins				J Med Chem 54: 2477-91 (2011) Article DOI: 10.1021/jm101639t BindingDB Entry DOI: 10.7270/Q2V1253W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50417588 (CHEMBL1642746) Show SMILES CC1(C)CCC(CC1)NCc1ccc(cc1)N1CCCc2cc(ccc12)C(N)=O Show InChI InChI=1S/C25H33N3O/c1-25(2)13-11-21(12-14-25)27-17-18-5-8-22(9-6-18)28-15-3-4-19-16-20(24(26)29)7-10-23(19)28/h5-10,16,21,27H,3-4,11-15,17H2,1-2H3,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50417597 (CHEMBL1642756) Show SMILES NC(=O)c1ccc2N(CCCc2c1)c1ccc(CNC2Cc3ccccc3C2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H26F3N3O/c28-27(29,30)24-15-23(33-11-3-6-19-12-20(26(31)34)8-10-25(19)33)9-7-21(24)16-32-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,32H,3,6,11,13-14,16H2,(H2,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPA				Bioorg Med Chem Lett 21: 670-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.010 BindingDB Entry DOI: 10.7270/Q2KD2051
					More data for this Ligand-Target Pair

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