Compile Data Set for Download or QSAR

Found 4125 hits with Last Name = 'bae' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM79215 (CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Affinity towards cloned human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272695 (3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...) Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)| Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272695 (3-(4-chloro-2-morpholinothiazol-5-yl)-2,6-dimethyl...) Show SMILES CCC(CC)c1cc(C)nn2c(c(C)nc12)-c1sc(nc1Cl)N1CCOCC1 |(8.98,-11.26,;8.98,-12.8,;7.65,-13.58,;6.32,-12.81,;4.99,-13.59,;7.66,-15.12,;6.34,-15.89,;6.33,-17.43,;5,-18.2,;7.67,-18.2,;9.01,-17.43,;10.49,-17.9,;11.4,-16.64,;12.94,-16.63,;10.48,-15.39,;9,-15.88,;10.98,-19.36,;12.45,-19.83,;12.46,-21.37,;11,-21.85,;10.09,-20.61,;8.55,-20.62,;13.71,-22.26,;13.55,-23.79,;14.79,-24.69,;16.2,-24.06,;16.36,-22.53,;15.11,-21.62,)| Show InChI InChI=1S/C20H26ClN5OS/c1-5-14(6-2)15-11-12(3)24-26-16(13(4)22-19(15)26)17-18(21)23-20(28-17)25-7-9-27-10-8-25/h11,14H,5-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM85093 (CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...) Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity to human Dopamine receptor D4				Bioorg Med Chem Lett 11: 1375-7 (2001) BindingDB Entry DOI: 10.7270/Q28C9VHC
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM79215 (CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...) Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Affinity towards cloned human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164465 (CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50171313 ((3-Ethyl-2-methyl-quinolin-6-yl)-(4-methoxy-cycloh...) Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(20.81,-1.24,;19.47,-.49,;18.14,-1.27,;16.81,-.5,;15.48,-1.27,;14.15,-.5,;12.82,-1.27,;12.82,-2.81,;14.15,-3.58,;15.48,-2.81,;16.81,-3.58,;18.14,-2.81,;19.48,-3.58,;11.48,-.5,;11.48,1.04,;10.02,-1.13,;8.73,-.29,;7.33,-1.17,;7.33,-2.71,;8.69,-3.48,;10.02,-2.69,;6,-3.48,;4.67,-2.71,)| Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro affinity for cloned rat metabotropic glutamate 1 receptors stably expressed on CHO cells determined using [3H]-R214127 as radioligand				J Med Chem 48: 5096-9 (2005) Article DOI: 10.1021/jm050263+ BindingDB Entry DOI: 10.7270/Q29S1QJK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50132951 (8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...) Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50132951 (8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...) Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348782 (CHEMBL1807053) Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(OC(F)(F)F)cc1OC Show InChI InChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116112 (CHEMBL67484 | [1,5-Dimethyl-3-(2,4,6-trimethyl-phe...) Show SMILES CCCN(CCC)c1nc(C)nc2c(nn(C)c12)-c1c(C)cc(C)cc1C |(-6.92,3.47,;-5.59,2.68,;-5.62,1.14,;-4.31,.34,;-2.96,1.09,;-2.93,2.63,;-1.58,3.36,;-4.33,-1.2,;-5.69,-1.94,;-5.73,-3.48,;-7.07,-4.23,;-4.4,-4.28,;-3.05,-3.53,;-1.59,-4.04,;-.65,-2.81,;-1.54,-1.54,;-1.04,-.08,;-3.03,-1.99,;-1.14,-5.51,;.36,-5.84,;1.4,-4.71,;.82,-7.31,;-.25,-8.45,;.22,-9.92,;-1.74,-8.1,;-2.19,-6.63,;-3.69,-6.28,)| Show InChI InChI=1S/C22H31N5/c1-8-10-27(11-9-2)22-21-20(23-17(6)24-22)19(25-26(21)7)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50342721 (CHEMBL1771259 | N1-(3-(2,6-dichloro-4-methoxypheny...) Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(28.08,-21.34,;29.62,-21.32,;30.38,-19.98,;29.6,-18.65,;30.35,-17.31,;29.57,-15.98,;31.89,-17.31,;32.64,-15.97,;31.74,-14.71,;30.2,-14.71,;32.65,-13.46,;34.12,-13.94,;35.45,-13.17,;35.44,-11.63,;36.78,-10.86,;38.11,-11.63,;39.44,-10.86,;40.77,-11.64,;40.76,-13.17,;42.08,-13.95,;43.42,-13.2,;43.43,-11.66,;42.11,-10.87,;36.78,-13.94,;36.79,-15.49,;38.12,-16.26,;35.45,-16.26,;34.12,-15.49,;32.68,-18.62,;34.22,-18.59,;31.93,-19.96,)| Show InChI InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells				Bioorg Med Chem Lett 21: 2641-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.116 BindingDB Entry DOI: 10.7270/Q2BP0336
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50119548 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluorom...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CF)cc1N Show InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,10-11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348778 (CHEMBL1807058) Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC)cc1Cl Show InChI InChI=1S/C19H26ClN3O2/c1-6-12(7-2)21-18-16(8-3)22-17(19(23-18)25-5)14-10-9-13(24-4)11-15(14)20/h9-12H,6-8H2,1-5H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50091097 (3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50110788 (2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348829 (CHEMBL1807054) Show SMILES CCC(CC)Nc1nc(C)c(nc1OC)-c1ccc(cc1OC)C(F)(F)F Show InChI InChI=1S/C19H24F3N3O2/c1-6-13(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-12(19(20,21)22)10-15(14)26-4/h8-10,13H,6-7H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50099890 (3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-p...) Show SMILES COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)23-11-9-22(10-12-23)14-15-13-21-19-16(15)5-4-8-20-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone				Bioorg Med Chem Lett 11: 1375-7 (2001) BindingDB Entry DOI: 10.7270/Q28C9VHC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348783 (CHEMBL1807052) Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC(F)F)cc1Cl Show InChI InChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-18(26-4)25-16(15(7-3)24-17)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164469 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluoro-...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(F)cc1N Show InChI InChI=1S/C15H17FN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50173091 (4-(4-Chloro-phenyl)-piperazine-1-carboxylic acid [...) Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C23H30ClN5O2/c1-26-9-11-28(12-10-26)21-17-19(5-8-22(21)31-2)25-23(30)29-15-13-27(14-16-29)20-6-3-18(24)4-7-20/h3-8,17H,9-16H2,1-2H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity towards cloned human 5-HT1B receptor using [3H]5-carboximidotryptamine as radioligand				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50164466 (2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-(2-fluo...) Show SMILES CN(C)Cc1ccccc1Sc1ccc(CCF)cc1N Show InChI InChI=1S/C17H21FN2S/c1-20(2)12-14-5-3-4-6-16(14)21-17-8-7-13(9-10-18)11-15(17)19/h3-8,11H,9-10,12,19H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells				J Med Chem 48: 2559-70 (2005) Article DOI: 10.1021/jm0400808 BindingDB Entry DOI: 10.7270/Q2K9371G
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348786 (CHEMBL1807049) Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1CC Show InChI InChI=1S/C21H31N3O2/c1-7-14-13-16(25-5)11-12-17(14)19-18(10-4)23-20(21(24-19)26-6)22-15(8-2)9-3/h11-13,15H,7-10H2,1-6H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116095 (CHEMBL293228 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(.02,4.59,;-1.31,3.8,;-1.3,2.26,;-2.64,1.49,;-3.97,2.26,;-3.98,3.8,;-5.31,4.57,;-2.63,-.05,;-3.96,-.82,;-3.96,-2.36,;-5.3,-3.13,;-2.63,-3.13,;-1.3,-2.36,;.17,-2.85,;.66,-4.32,;-.37,-5.44,;.1,-6.91,;1.61,-7.24,;2.08,-8.7,;2.64,-6.07,;2.15,-4.63,;3.18,-3.48,;1.1,-1.59,;2.64,-1.59,;.17,-.33,;-1.3,-.82,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-9-26(10-6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-8-7-13(20)11-15(14)21/h7-8,11H,5-6,9-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM29442 (CHEMBL524616 | Pyrazolo[1,5-a]-1,3,5-triazine, 12-...) Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)| Show InChI InChI=1S/C20H27N5O3/c1-12-9-16(28-6)7-8-17(12)18-13(2)24-25-19(18)21-14(3)22-20(25)23-15(10-26-4)11-27-5/h7-9,15H,10-11H2,1-6H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50054245 (5-Chloro-N-cyclopropylmethyl-2-methyl-N-propyl-N''...) Show SMILES CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl Show InChI InChI=1S/C18H20Cl4N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116123 (Butyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyr...) Show SMILES CCCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(3.45,-.61,;2.12,.16,;.78,-.61,;-.55,.16,;-1.88,-.61,;-3.2,.14,;-4.54,-.63,;-1.88,-2.15,;-3.2,-2.93,;-3.2,-4.47,;-4.53,-5.24,;-1.88,-5.24,;-.54,-4.47,;.93,-4.94,;1.4,-6.41,;.38,-7.54,;.85,-9.01,;2.36,-9.32,;2.82,-10.79,;3.38,-8.16,;2.91,-6.71,;3.92,-5.57,;1.85,-3.69,;3.38,-3.69,;.93,-2.44,;-.54,-2.92,)| Show InChI InChI=1S/C19H23Cl2N5/c1-5-7-10-26(6-2)19-17-16(22-12(3)23-19)18(25(4)24-17)14-9-8-13(20)11-15(14)21/h8-9,11H,5-7,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348828 (CHEMBL1628268 | SR-125543A) Show SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 |r| Show InChI InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50272638 (2-(4-chloro-2,6-dimethoxyphenyl)-4-methoxy-6-methy...) Show SMILES CCCN(CCC)c1c(C)nc(nc1OC)-c1c(OC)cc(Cl)cc1OC Show InChI InChI=1S/C20H28ClN3O3/c1-7-9-24(10-8-2)18-13(3)22-19(23-20(18)27-6)17-15(25-4)11-14(21)12-16(17)26-5/h11-12H,7-10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50173098 (4-(2-Methoxy-phenyl)-piperazine-1-carboxylic acid ...) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1 Show InChI InChI=1S/C24H33N5O3/c1-26-10-12-28(13-11-26)21-18-19(8-9-23(21)32-3)25-24(30)29-16-14-27(15-17-29)20-6-4-5-7-22(20)31-2/h4-9,18H,10-17H2,1-3H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description Affinity towards 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 15: 4786-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.024 BindingDB Entry DOI: 10.7270/Q2NP23ZZ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50084875 (8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...) Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)| Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348828 (CHEMBL1628268 | SR-125543A) Show SMILES COc1cc(Cl)c(cc1C)-c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1 |r| Show InChI InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348784 (CHEMBL1807051) Show SMILES CCC(CC)Nc1nc(CC)c(nc1OC)-c1ccc(OC)cc1C(F)(F)F Show InChI InChI=1S/C20H26F3N3O2/c1-6-12(7-2)24-18-19(28-5)26-17(16(8-3)25-18)14-10-9-13(27-4)11-15(14)20(21,22)23/h9-12H,6-8H2,1-5H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50099893 (3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...) Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19FN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone				Bioorg Med Chem Lett 11: 1375-7 (2001) BindingDB Entry DOI: 10.7270/Q28C9VHC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50348777 (CHEMBL1807059) Show SMILES CCC(CC)Nc1nc(OC)c(nc1CC)-c1ccc(OC(F)F)cc1Cl Show InChI InChI=1S/C19H24ClF2N3O2/c1-5-11(6-2)23-17-15(7-3)24-16(18(25-17)26-4)13-9-8-12(10-14(13)20)27-19(21)22/h8-11,19H,5-7H2,1-4H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells				Bioorg Med Chem Lett 18: 891-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.050 BindingDB Entry DOI: 10.7270/Q28S4PPS
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50099889 (3-[4-(4-Vinyl-phenyl)-piperazin-1-ylmethyl]-1H-pyr...) Show SMILES C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C20H22N4/c1-2-16-5-7-18(8-6-16)24-12-10-23(11-13-24)15-17-14-22-20-19(17)4-3-9-21-20/h2-9,14H,1,10-13,15H2,(H,21,22)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone				Bioorg Med Chem Lett 11: 1375-7 (2001) BindingDB Entry DOI: 10.7270/Q28C9VHC
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116118 (CHEMBL304272 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES COCCN(CCOC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(-7.47,-.08,;-6.12,-.85,;-4.79,-1.61,;-3.46,-.84,;-2.14,-1.59,;-.79,-.82,;.54,-1.59,;1.87,-.82,;3.19,-.05,;-2.12,-3.13,;-3.45,-3.91,;-3.45,-5.45,;-4.79,-6.22,;-2.12,-6.22,;-.78,-5.45,;.68,-5.92,;1.16,-7.39,;.12,-8.53,;.61,-9.99,;2.1,-10.3,;2.59,-11.77,;3.13,-9.16,;2.66,-7.7,;3.68,-6.55,;1.59,-4.67,;3.13,-4.67,;.68,-3.42,;-.78,-3.9,)| Show InChI InChI=1S/C19H23Cl2N5O2/c1-12-22-16-17(19(23-12)26(7-9-27-3)8-10-28-4)24-25(2)18(16)14-6-5-13(20)11-15(14)21/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Antagonist activity at human CRF-1 receptor				J Med Chem 54: 4187-206 (2011) Article DOI: 10.1021/jm200365y BindingDB Entry DOI: 10.7270/Q2XS5VR1
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50342728 (CHEMBL1771260 | N1-(3-(2,6-dichloro-4-ethoxyphenyl...) Show SMILES CCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(-10.58,-34.36,;-9.79,-35.68,;-8.25,-35.66,;-7.5,-34.32,;-8.28,-32.99,;-7.53,-31.65,;-8.3,-30.33,;-5.99,-31.65,;-5.23,-30.31,;-6.14,-29.05,;-7.68,-29.05,;-5.23,-27.8,;-3.76,-28.28,;-2.43,-27.52,;-2.43,-25.98,;-1.1,-25.2,;.23,-25.97,;1.57,-25.2,;2.89,-25.98,;2.88,-27.52,;4.2,-28.3,;5.54,-27.54,;5.56,-26,;4.23,-25.21,;-1.1,-28.28,;-1.09,-29.83,;.25,-30.6,;-2.43,-30.6,;-3.76,-29.83,;-5.2,-32.96,;-3.66,-32.94,;-5.95,-34.3,)| Show InChI InChI=1S/C23H29Cl2N5O2/c1-4-32-17-12-18(24)22(19(25)13-17)21-15(3)29-30-20(11-14(2)28-23(21)30)27-8-7-26-16-5-9-31-10-6-16/h11-13,16,26-27H,4-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-PYY from human recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells				Bioorg Med Chem Lett 21: 2641-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.116 BindingDB Entry DOI: 10.7270/Q2BP0336
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116093 (CHEMBL304335 | [3-(2,4-Dichloro-phenyl)-2,5-dimeth...) Show SMILES CCCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 |(2.41,-.08,;1.07,-.85,;-.26,-.08,;-1.6,-.85,;-2.93,-.09,;-4.25,-.86,;-1.58,-2.38,;-2.91,-3.17,;-2.91,-4.7,;-4.25,-5.47,;-1.58,-5.47,;-.25,-4.7,;1.22,-5.18,;1.7,-6.64,;.66,-7.78,;1.14,-9.24,;2.64,-9.55,;3.12,-11.02,;3.66,-8.39,;3.2,-6.94,;4.2,-5.8,;2.13,-3.92,;3.66,-3.92,;1.22,-2.68,;-.25,-3.15,)| Show InChI InChI=1S/C18H21Cl2N5/c1-5-9-25(6-2)18-16-15(21-11(3)22-18)17(24(4)23-16)13-8-7-12(19)10-14(13)20/h7-8,10H,5-6,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116092 (CHEMBL66054 | [2-Ethyl-5-methyl-3-(2,4,6-trimethyl...) Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(CC)nc12 |(.47,3.41,;-.88,2.68,;-.91,1.14,;-2.26,.39,;-3.59,1.18,;-3.56,2.72,;-4.87,3.52,;-2.29,-1.15,;-3.64,-1.9,;-3.68,-3.44,;-5.03,-4.18,;-2.36,-4.23,;-1,-3.48,;.45,-4,;.91,-5.47,;-.14,-6.59,;-1.65,-6.24,;.3,-8.06,;1.8,-8.41,;2.26,-9.88,;2.85,-7.26,;2.4,-5.79,;3.44,-4.67,;1.38,-2.76,;2.92,-2.78,;3.72,-1.47,;.5,-1.49,;-.97,-1.94,)| Show InChI InChI=1S/C23H33N5/c1-8-11-27(12-9-2)23-21-20(24-18(7)25-23)22(28(10-3)26-21)19-16(5)13-15(4)14-17(19)6/h13-14H,8-12H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116104 (CHEMBL66275 | [2,5-Dimethyl-3-(2,4,6-trimethyl-phe...) Show SMILES CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12 |(-4.13,3.59,;-2.82,2.79,;-2.84,1.25,;-1.53,.44,;-.18,1.19,;-.14,2.73,;1.2,3.47,;-1.56,-1.1,;-2.91,-1.83,;-2.94,-3.37,;-4.28,-4.11,;-1.63,-4.18,;-.27,-3.43,;1.2,-3.93,;1.64,-5.4,;3.13,-5.74,;4.18,-4.6,;3.6,-7.21,;2.54,-8.34,;2.99,-9.81,;1.03,-7.99,;.59,-6.52,;-.9,-6.17,;2.13,-2.69,;3.67,-2.73,;1.24,-1.43,;-.23,-1.89,)| Show InChI InChI=1S/C22H31N5/c1-8-10-27(11-9-2)22-20-19(23-17(6)24-22)21(26(7)25-20)18-15(4)12-14(3)13-16(18)5/h12-13H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]-sauvagine from Corticotropin releasing factor receptor 1 endogenously expressed in IMR-32 human neuroblastoma cells				Bioorg Med Chem Lett 12: 2133-6 (2002) BindingDB Entry DOI: 10.7270/Q2SQ8ZPK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50058163 (Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...) Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50116105 (3-(6-(dimethylamino)-4-methylpyridin-3-yl)-2,5-dim...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(-1.91,-13.39,;-3.24,-14.16,;-4.58,-13.4,;-5.91,-14.18,;-7.24,-13.41,;-8.57,-14.19,;-9.91,-13.42,;-5.9,-15.72,;-7.22,-16.49,;-7.23,-18.03,;-8.56,-18.8,;-5.9,-18.8,;-4.55,-18.03,;-3.07,-18.5,;-2.16,-17.24,;-.62,-17.23,;-3.09,-15.99,;-4.56,-16.48,;-2.58,-19.96,;-3.61,-21.11,;-3.13,-22.57,;-1.62,-22.88,;-.59,-21.72,;-1.08,-20.27,;-.06,-19.11,;-1.13,-24.34,;.38,-24.65,;-2.15,-25.5,)| Show InChI InChI=1S/C22H32N6/c1-8-10-27(11-9-2)20-13-16(4)24-22-21(17(5)25-28(20)22)18-14-23-19(26(6)7)12-15(18)3/h12-14H,8-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells				Bioorg Med Chem Lett 18: 4486-90 (2008) Article DOI: 10.1016/j.bmcl.2008.07.063 BindingDB Entry DOI: 10.7270/Q2NG4RJ4
					More data for this Ligand-Target Pair
D(4) dopamine receptor (RAT)	BDBM50099887 (3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-py...) Show SMILES Fc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1 Show InChI InChI=1S/C18H19FN4/c19-16-5-1-2-6-17(16)23-10-8-22(9-11-23)13-14-12-21-18-15(14)4-3-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University College of Physicians and Surgeons Curated by ChEMBL					Assay Description In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone				Bioorg Med Chem Lett 11: 1375-7 (2001) BindingDB Entry DOI: 10.7270/Q28C9VHC
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (RAT)	BDBM50342721 (CHEMBL1771259 | N1-(3-(2,6-dichloro-4-methoxypheny...) Show SMILES COc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1 |(28.08,-21.34,;29.62,-21.32,;30.38,-19.98,;29.6,-18.65,;30.35,-17.31,;29.57,-15.98,;31.89,-17.31,;32.64,-15.97,;31.74,-14.71,;30.2,-14.71,;32.65,-13.46,;34.12,-13.94,;35.45,-13.17,;35.44,-11.63,;36.78,-10.86,;38.11,-11.63,;39.44,-10.86,;40.77,-11.64,;40.76,-13.17,;42.08,-13.95,;43.42,-13.2,;43.43,-11.66,;42.11,-10.87,;36.78,-13.94,;36.79,-15.49,;38.12,-16.26,;35.45,-16.26,;34.12,-15.49,;32.68,-18.62,;34.22,-18.59,;31.93,-19.96,)| Show InChI InChI=1S/C22H27Cl2N5O2/c1-13-10-19(26-7-6-25-15-4-8-31-9-5-15)29-22(27-13)20(14(2)28-29)21-17(23)11-16(30-3)12-18(21)24/h10-12,15,25-26H,4-9H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [125]sauvagin from rat recombinant NPY Y1 receptor overexpressed in membrane of Sf9 cells				Bioorg Med Chem Lett 21: 2641-5 (2011) Article DOI: 10.1016/j.bmcl.2010.12.116 BindingDB Entry DOI: 10.7270/Q2BP0336
					More data for this Ligand-Target Pair

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