Compile Data Set for Download or QSAR

Found 69984 hits with Last Name = 'ma' and Initial = 'w'   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50176988 (8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...) Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.000350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor (unknown origin)				J Med Chem 51: 3526-39 (2008) Article DOI: 10.1021/jm8000778 BindingDB Entry DOI: 10.7270/Q29K4B0X
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50295070 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H76F6N10O15/c1-32(2)20-44(57(89)76-46(25-37-28-71-43-13-8-7-12-41(37)43)56(88)72-27-36-21-38(62(64,65)66)26-39(22-36)63(67,68)69)77-59(91)48-14-9-19-79(48)60(92)47(31-93-61-53(85)52(84)51(83)49(30-80)94-61)78-58(90)45(24-34-10-5-4-6-11-34)75-50(82)29-73-54(86)33(3)74-55(87)42(70)23-35-15-17-40(81)18-16-35/h4-8,10-13,15-18,21-22,26,28,32-33,42,44-49,51-53,61,71,80-81,83-85H,9,14,19-20,23-25,27,29-31,70H2,1-3H3,(H,72,88)(H,73,86)(H,74,87)(H,75,82)(H,76,89)(H,77,91)(H,78,90)/t33-,42+,44+,45+,46+,47+,48+,49-,51-,52+,53-,61-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.00110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane				J Med Chem 52: 5164-75 (2010) Article DOI: 10.1021/jm900473p BindingDB Entry DOI: 10.7270/Q2MC90ZZ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50295070 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C63H76F6N10O15/c1-32(2)20-44(57(89)76-46(25-37-28-71-43-13-8-7-12-41(37)43)56(88)72-27-36-21-38(62(64,65)66)26-39(22-36)63(67,68)69)77-59(91)48-14-9-19-79(48)60(92)47(31-93-61-53(85)52(84)51(83)49(30-80)94-61)78-58(90)45(24-34-10-5-4-6-11-34)75-50(82)29-73-54(86)33(3)74-55(87)42(70)23-35-15-17-40(81)18-16-35/h4-8,10-13,15-18,21-22,26,28,32-33,42,44-49,51-53,61,71,80-81,83-85H,9,14,19-20,23-25,27,29-31,70H2,1-3H3,(H,72,88)(H,73,86)(H,74,87)(H,75,82)(H,76,89)(H,77,91)(H,78,90)/t33-,42+,44+,45+,46+,47+,48+,49-,51-,52+,53-,61-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.00110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane				J Med Chem 52: 5164-75 (2010) Article DOI: 10.1021/jm900473p BindingDB Entry DOI: 10.7270/Q2MC90ZZ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50056769 ((S)-1-(3,3-Diphenyl-2-phenylmethanesulfonylamino-p...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C(NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)CC1 |wU:9.8,(16.05,-4.09,;16.82,-5.42,;16.81,-7.08,;17.34,-8.54,;16.12,-9.36,;16.57,-10.83,;15.52,-11.95,;14.02,-11.6,;12.97,-12.72,;13.56,-10.13,;14.5,-8.9,;13.63,-7.64,;12.11,-8.1,;12.12,-9.64,;10.86,-10.51,;10.97,-12.05,;9.46,-9.85,;8.2,-10.74,;6.87,-11.5,;6.09,-10.16,;7.64,-12.86,;5.51,-12.28,;4.18,-11.51,;4.18,-9.97,;2.85,-9.2,;1.52,-9.97,;1.52,-11.53,;2.85,-12.28,;9.33,-8.33,;7.93,-7.68,;7.8,-6.14,;6.4,-5.49,;5.14,-6.38,;5.28,-7.92,;6.68,-8.56,;10.59,-7.44,;9.81,-6.11,;10.59,-4.77,;12.13,-4.77,;12.89,-6.11,;12.13,-7.44,;16.29,-7.89,;15.73,-6.52,)| Show InChI InChI=1S/C34H42N4O4S/c35-29-20-18-25(19-21-29)23-36-33(39)30-17-10-22-38(30)34(40)32(37-43(41,42)24-26-11-4-1-5-12-26)31(27-13-6-2-7-14-27)28-15-8-3-9-16-28/h1-9,11-16,25,29-32,37H,10,17-24,35H2,(H,36,39)/t25?,29?,30-,32?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards thrombin				J Med Chem 40: 830-2 (1997) Article DOI: 10.1021/jm960762y BindingDB Entry DOI: 10.7270/Q25H7GXW
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50295069 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C60H72F6N10O9/c1-5-6-16-46(73-56(83)48(28-36-13-8-7-9-14-36)72-51(78)33-70-52(79)35(4)71-53(80)44(67)27-37-19-21-42(77)22-20-37)58(85)76-23-12-18-50(76)57(84)75-47(24-34(2)3)55(82)74-49(29-39-32-68-45-17-11-10-15-43(39)45)54(81)69-31-38-25-40(59(61,62)63)30-41(26-38)60(64,65)66/h7-11,13-15,17,19-22,25-26,30,32,34-35,44,46-50,68,77H,5-6,12,16,18,23-24,27-29,31,33,67H2,1-4H3,(H,69,81)(H,70,79)(H,71,80)(H,72,78)(H,73,83)(H,74,82)(H,75,84)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane				J Med Chem 52: 5164-75 (2010) Article DOI: 10.1021/jm900473p BindingDB Entry DOI: 10.7270/Q2MC90ZZ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50295069 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-2-butyl-1...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C60H72F6N10O9/c1-5-6-16-46(73-56(83)48(28-36-13-8-7-9-14-36)72-51(78)33-70-52(79)35(4)71-53(80)44(67)27-37-19-21-42(77)22-20-37)58(85)76-23-12-18-50(76)57(84)75-47(24-34(2)3)55(82)74-49(29-39-32-68-45-17-11-10-15-43(39)45)54(81)69-31-38-25-40(59(61,62)63)30-41(26-38)60(64,65)66/h7-11,13-15,17,19-22,25-26,30,32,34-35,44,46-50,68,77H,5-6,12,16,18,23-24,27-29,31,33,67H2,1-4H3,(H,69,81)(H,70,79)(H,71,80)(H,72,78)(H,73,83)(H,74,82)(H,75,84)/t35-,44+,46+,47+,48+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane				J Med Chem 52: 5164-75 (2010) Article DOI: 10.1021/jm900473p BindingDB Entry DOI: 10.7270/Q2MC90ZZ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50498577 (CHEMBL3609619) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C32H30F6N4O5/c1-17(41-29(45)25(39)12-18-6-8-23(43)9-7-18)28(44)42-27(13-20-15-40-26-5-3-2-4-24(20)26)30(46)47-16-19-10-21(31(33,34)35)14-22(11-19)32(36,37)38/h2-11,14-15,17,25,27,40,43H,12-13,16,39H2,1H3,(H,41,45)(H,42,44)/t17-,25+,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor transfected in CHO cells				Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50498575 (CHEMBL3608939) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C45H44F7N7O8/c1-24(57-41(64)34(53)16-25-8-12-32(60)13-9-25)40(63)55-21-38(61)58-36(17-26-6-10-31(46)11-7-26)42(65)56-22-39(62)59-37(18-28-20-54-35-5-3-2-4-33(28)35)43(66)67-23-27-14-29(44(47,48)49)19-30(15-27)45(50,51)52/h2-15,19-20,24,34,36-37,54,60H,16-18,21-23,53H2,1H3,(H,55,63)(H,56,65)(H,57,64)(H,58,61)(H,59,62)/t24-,34+,36+,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor transfected in CHO cells				Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50098576 (5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	0.00480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Human cathepsin K				J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50180655 (A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to wild type HIV1 protease				J Med Chem 55: 1424-44 (2012) Article DOI: 10.1021/jm2010332 BindingDB Entry DOI: 10.7270/Q2D79F84
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-P receptor (Homo sapiens (Human))	BDBM50323869 ((S)-1-((4S,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P frome human NK1 receptor				J Med Chem 53: 5491-501 (2010) Article DOI: 10.1021/jm100157m BindingDB Entry DOI: 10.7270/Q21N81BD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50323869 ((S)-1-((4S,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P frome human NK1 receptor				J Med Chem 53: 5491-501 (2010) Article DOI: 10.1021/jm100157m BindingDB Entry DOI: 10.7270/Q21N81BD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50439327 (CHEMBL2419544) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C45H45F6N7O8/c1-25(56-41(63)34(52)17-27-11-13-32(59)14-12-27)40(62)54-22-38(60)57-36(18-26-7-3-2-4-8-26)42(64)55-23-39(61)58-37(19-29-21-53-35-10-6-5-9-33(29)35)43(65)66-24-28-15-30(44(46,47)48)20-31(16-28)45(49,50)51/h2-16,20-21,25,34,36-37,53,59H,17-19,22-24,52H2,1H3,(H,54,62)(H,55,64)(H,56,63)(H,57,60)(H,58,61)/t25-,34+,36+,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 23: 4975-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.065 BindingDB Entry DOI: 10.7270/Q2222W64
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50102711 (7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1 Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25?,26+,28+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity on agonist (U50,488) stimulated [35S]GTP-gamma-S, binding in cloned opioid receptor kappa 1				J Med Chem 44: 2687-90 (2001) BindingDB Entry DOI: 10.7270/Q25T3M58
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50264406 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membrane by liquid scintillation counting				J Med Chem 51: 6334-47 (2008) Article DOI: 10.1021/jm800389v BindingDB Entry DOI: 10.7270/Q26T0MF1
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50264406 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P frome human NK1 receptor				J Med Chem 53: 5491-501 (2010) Article DOI: 10.1021/jm100157m BindingDB Entry DOI: 10.7270/Q21N81BD
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50264406 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem 17: 7337-43 (2009) Article DOI: 10.1016/j.bmc.2009.08.035 BindingDB Entry DOI: 10.7270/Q2CJ8DK5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50264406 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cell membranes				Bioorg Med Chem 17: 7337-43 (2009) Article DOI: 10.1016/j.bmc.2009.08.035 BindingDB Entry DOI: 10.7270/Q2CJ8DK5
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50341318 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				J Med Chem 54: 2029-38 (2011) Article DOI: 10.1021/jm101023r BindingDB Entry DOI: 10.7270/Q2862GRK
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50341318 ((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C61H74F6N10O9S/c1-33(2)21-48(56(83)75-50(27-39-31-69-46-16-11-10-15-43(39)46)55(82)70-30-38-24-40(60(62,63)64)28-41(25-38)61(65,66)67)76-58(85)51-17-12-19-77(51)59(86)47(18-20-87-6)74-57(84)49(26-37-13-8-7-9-14-37)73-52(79)32-71-53(80)36(5)72-54(81)45(68)29-44-34(3)22-42(78)23-35(44)4/h7-11,13-16,22-25,28,31,33,36,45,47-51,69,78H,12,17-21,26-27,29-30,32,68H2,1-6H3,(H,70,82)(H,71,80)(H,72,81)(H,73,79)(H,74,84)(H,75,83)(H,76,85)/t36-,45+,47+,48+,49+,50+,51+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				J Med Chem 54: 2029-38 (2011) Article DOI: 10.1021/jm101023r BindingDB Entry DOI: 10.7270/Q2862GRK
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312552 (3'-(3-nitrophenyl)epibatidine | CHEMBL1096352) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22| Show InChI InChI=1S/C17H16ClN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2/t12-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50439329 (CHEMBL2419542) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C49H53F6N7O8/c1-27(2)17-39(45(67)62-41(22-32-24-57-38-12-8-7-11-36(32)38)47(69)70-26-31-18-33(48(50,51)52)23-34(19-31)49(53,54)55)61-46(68)40(21-29-9-5-4-6-10-29)60-42(64)25-58-43(65)28(3)59-44(66)37(56)20-30-13-15-35(63)16-14-30/h4-16,18-19,23-24,27-28,37,39-41,57,63H,17,20-22,25-26,56H2,1-3H3,(H,58,65)(H,59,66)(H,60,64)(H,61,68)(H,62,67)/t28-,37+,39+,40+,41+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 23: 4975-8 (2013) Article DOI: 10.1016/j.bmcl.2013.06.065 BindingDB Entry DOI: 10.7270/Q2222W64
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312557 (3'-(3-Dimethylaminophenyl)epibatidine | CHEMBL1084...) Show SMILES CN(C)c1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22| Show InChI InChI=1S/C19H22ClN3/c1-23(2)15-5-3-4-12(8-15)17-9-13(11-21-19(17)20)16-10-14-6-7-18(16)22-14/h3-5,8-9,11,14,16,18,22H,6-7,10H2,1-2H3/t14-,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM86812 (CAS_45263784 | NSC_45263784 | rac-2-(6-fluoro-5-(4...) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19770 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.00990	-62.2	n/a	n/a	n/a	n/a	n/a	5.5	22
GSK					Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...				J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5
					More data for this Ligand-Target Pair				3D Structure (docked)
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of North Texas Curated by PDSP Ki Database									Synapse 38: 438-49 (2000) Article DOI: 10.1002/1098-2396(20001215)38:4 BindingDB Entry DOI: 10.7270/Q2SN07HX
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50055976 ((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...) Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,wD:12.13,7.10,TLB:9:7:2.3:6.5,(13.94,-4.53,;13.94,-2.99,;14.71,-1.66,;13.24,-1.26,;14.01,.06,;15.34,-.72,;15.34,-2.26,;12.68,-.71,;12.68,-2.25,;11.35,.06,;10.02,-.71,;10.02,-2.26,;8.66,.09,;9.46,1.42,;7.33,.86,;6,.09,;4.67,.86,;4.67,2.4,;6,3.17,;7.33,2.4,;7.89,-1.27,;6.35,-1.27,;5.58,-2.6,;6.35,-3.94,;7.89,-3.95,;8.66,-2.62,)| Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Groningen University Hospital Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane				J Med Chem 40: 117-24 (1997) Article DOI: 10.1021/jm960374w BindingDB Entry DOI: 10.7270/Q2VH5PG0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50055978 (4-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1,...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H32NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3/q+1/t21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Groningen University Hospital Curated by ChEMBL					Assay Description Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined				J Med Chem 40: 117-24 (1997) Article DOI: 10.1021/jm960374w BindingDB Entry DOI: 10.7270/Q2VH5PG0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312547 (3'-(3-Fluorophenyl)epibatidine | CHEMBL1097692) Show SMILES Fc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-17-15(10-2-1-3-12(19)6-10)7-11(9-20-17)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2/t13-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50064515 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-o-tolyl-allyl)-pi...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2C)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312549 (3'-(3-Chlorophenyl)epibatidine | CHEMBL1098031) Show SMILES Clc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20| Show InChI InChI=1S/C17H16Cl2N2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2/t13-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312551 (3'-(4-Nitrophenyl)epibatidine | CHEMBL1098033) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22| Show InChI InChI=1S/C17H16ClN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2/t12-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312550 (3'-(3-Bromophenyl)epibatidine | CHEMBL1098032) Show SMILES Clc1ncc(cc1-c1cccc(Br)c1)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:4:14:17.18:20| Show InChI InChI=1S/C17H16BrClN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2/t13-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50498573 (CHEMBL3609620) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C34H34F6N4O5/c1-17-8-24(45)9-18(2)26(17)14-27(41)31(47)43-19(3)30(46)44-29(12-21-15-42-28-7-5-4-6-25(21)28)32(48)49-16-20-10-22(33(35,36)37)13-23(11-20)34(38,39)40/h4-11,13,15,19,27,29,42,45H,12,14,16,41H2,1-3H3,(H,43,47)(H,44,46)/t19-,27+,29+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor transfected in CHO cells				Bioorg Med Chem Lett 25: 3716-20 (2015) Article DOI: 10.1016/j.bmcl.2015.06.030 BindingDB Entry DOI: 10.7270/Q2R78J7N
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312554 (3'-(3-Aminophenyl)epibatidine | CHEMBL1076992) Show SMILES Nc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20| Show InChI InChI=1S/C17H18ClN3/c18-17-15(10-2-1-3-12(19)6-10)7-11(9-20-17)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8,19H2/t13-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312546 ((1R,2R,4S)-2-(6-chloro-5-(4-fluorophenyl)pyridin-3...) Show SMILES Fc1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:9:14:17.18:20| Show InChI InChI=1S/C17H16ClFN2/c18-17-15(10-1-3-12(19)4-2-10)7-11(9-20-17)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2/t13-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50325767 (3-(2'-chlorobiphenyl-3-yl)-1H-pyrazole-1-carboxami...) Show SMILES NC(=O)n1ccc(n1)-c1cccc(c1)-c1ccccc1Cl Show InChI InChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human Nav 1.7 channel by electrophysiology				Bioorg Med Chem Lett 20: 5480-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.080 BindingDB Entry DOI: 10.7270/Q2PV6KJX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312556 ((1R,2R,4S)-2-(6-chloro-5-(3-methoxyphenyl)pyridin-...) Show SMILES COc1cccc(c1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:10:15:18.19:21| Show InChI InChI=1S/C18H19ClN2O/c1-22-14-4-2-3-11(7-14)16-8-12(10-20-18(16)19)15-9-13-5-6-17(15)21-13/h2-4,7-8,10,13,15,17,21H,5-6,9H2,1H3/t13-,15+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A] (Human immunodeficiency virus type 1)	BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0190	-63.7	n/a	n/a	n/a	n/a	n/a	4.7	37
Johnson & Johnson Pharmaceutical					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat))	BDBM50100717 (2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...) Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0| Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by PDSP Ki Database									Bioorg Med Chem 16: 746-54 (2008) Article DOI: 10.1016/j.bmc.2007.10.027 BindingDB Entry DOI: 10.7270/Q2H130KC
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50368642 (ACETYLPEPSTATIN) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C31H57N5O9/c1-15(2)11-21(35-30(44)28(18(7)8)36-31(45)27(17(5)6)33-20(10)37)23(38)13-25(40)32-19(9)29(43)34-22(12-16(3)4)24(39)14-26(41)42/h15-19,21-24,27-28,38-39H,11-14H2,1-10H3,(H,32,40)(H,33,37)(H,34,43)(H,35,44)(H,36,45)(H,41,42)/t19-,21-,22-,23-,24-,27-,28-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Inhibition of HIV1 protease				J Med Chem 55: 1424-44 (2012) Article DOI: 10.1021/jm2010332 BindingDB Entry DOI: 10.7270/Q2D79F84
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50055976 ((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...) Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,wD:12.13,7.10,TLB:9:7:2.3:6.5,(13.94,-4.53,;13.94,-2.99,;14.71,-1.66,;13.24,-1.26,;14.01,.06,;15.34,-.72,;15.34,-2.26,;12.68,-.71,;12.68,-2.25,;11.35,.06,;10.02,-.71,;10.02,-2.26,;8.66,.09,;9.46,1.42,;7.33,.86,;6,.09,;4.67,.86,;4.67,2.4,;6,3.17,;7.33,2.4,;7.89,-1.27,;6.35,-1.27,;5.58,-2.6,;6.35,-3.94,;7.89,-3.95,;8.66,-2.62,)| Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Groningen University Hospital Curated by ChEMBL					Assay Description Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined				J Med Chem 40: 117-24 (1997) Article DOI: 10.1021/jm960374w BindingDB Entry DOI: 10.7270/Q2VH5PG0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50102711 (7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...) Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)C1Cc2ccc(O)cc2CN1 Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25?,26+,28+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of stimulation of [35S]GTP-gamma-S, binding produced by the selective agonist (U69593, kappa-receptor), in guinea pig caudate membranes.				J Med Chem 44: 2687-90 (2001) BindingDB Entry DOI: 10.7270/Q25T3M58
					More data for this Ligand-Target Pair
Muscarinic receptor M1 (Bos taurus)	BDBM50055978 (4-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1,...) Show SMILES C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 Show InChI InChI=1S/C21H32NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3/q+1/t21-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Groningen University Hospital Curated by ChEMBL					Assay Description Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane				J Med Chem 40: 117-24 (1997) Article DOI: 10.1021/jm960374w BindingDB Entry DOI: 10.7270/Q2VH5PG0
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Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50162061 (2-(5-Ethynyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hep...) Show SMILES C#Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11| Show InChI InChI=1S/C13H14N2/c1-2-9-5-10(8-14-7-9)12-6-11-3-4-13(12)15-11/h1,5,7-8,11-13,15H,3-4,6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex				J Med Chem 48: 1221-8 (2005) Article DOI: 10.1021/jm040160b BindingDB Entry DOI: 10.7270/Q26W9BV6
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Mu-type opioid receptor (GUINEA PIG)	BDBM50045775 ((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...) Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
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Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312545 ((1R,2R,4S)-2-(6-chloro-5-phenylpyridin-3-yl)-7-aza...) Show SMILES Clc1ncc(cc1-c1ccccc1)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:4:13:16.17:19| Show InChI InChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2/t13-,14+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
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Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50312555 (3'-(4-Methoxylphenyl)epibatidine | CHEMBL1085916) Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)[C@H]1C[C@@H]2CC[C@H]1N2 |r,THB:10:15:18.19:21| Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3/t13-,15+,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex after 4 hrs by scintillation counting				J Nat Prod 73: 306-12 (2010) Article DOI: 10.1021/np9006124 BindingDB Entry DOI: 10.7270/Q2TQ61PZ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50341578 (3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphen...) Show SMILES Cc1cc(C)cc(c1)-c1cnc2cc(Cl)c(cc2c1OCCCN)-c1cccc(O)c1 Show InChI InChI=1S/C26H25ClN2O2/c1-16-9-17(2)11-19(10-16)23-15-29-25-14-24(27)21(18-5-3-6-20(30)12-18)13-22(25)26(23)31-8-4-7-28/h3,5-6,9-15,30H,4,7-8,28H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.0250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting				J Med Chem 54: 2351-8 (2011) Article DOI: 10.1021/jm101501b BindingDB Entry DOI: 10.7270/Q2668DH8
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