Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'barnaeva' and Initial = 'e'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50322229 (4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12 Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050467 (1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003068 (CHEMBL3234537) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H19N3O3S/c1-2-27-20-13-18(23(28)26-15-17-9-7-16(14-25)8-10-17)11-12-22(20)31(30)21-6-4-3-5-19(21)24(27)29/h3-13H,2,15H2,1H3,(H,26,28)/t31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50050467 (1-((1H-indol-3-yl)methyl)-4-(4-chlorophenyl)piperi...) Show SMILES OC1(CCN(Cc2c[nH]c3ccccc23)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50322229 (4-(4-Iodophenyl)-1-((4-methoxy-1H-indol-3-yl)methy...) Show SMILES COc1cccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(I)cc3)c12 Show InChI InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003066 (CHEMBL3234536) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19FN2O3S/c1-2-26-19-13-16(22(27)25-14-15-7-10-17(24)11-8-15)9-12-21(19)30(29)20-6-4-3-5-18(20)23(26)28/h3-13H,2,14H2,1H3,(H,25,27)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003074 (CHEMBL3234544) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003068 (CHEMBL3234537) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H19N3O3S/c1-2-27-20-13-18(23(28)26-15-17-9-7-16(14-25)8-10-17)11-12-22(20)31(30)21-6-4-3-5-19(21)24(27)29/h3-13H,2,15H2,1H3,(H,26,28)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003063 (CHEMBL3234237) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F Show InChI InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003065 (CHEMBL3234522) Show SMILES CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003073 (CHEMBL3234543) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCN1CCCC1 |r| Show InChI InChI=1S/C21H23N3O3S/c1-23-17-14-15(20(25)22-10-13-24-11-4-5-12-24)8-9-19(17)28(27)18-7-3-2-6-16(18)21(23)26/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,25)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003066 (CHEMBL3234536) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H19FN2O3S/c1-2-26-19-13-16(22(27)25-14-15-7-10-17(24)11-8-15)9-12-21(19)30(29)20-6-4-3-5-18(20)23(26)28/h3-13H,2,14H2,1H3,(H,25,27)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003071 (CHEMBL3234541) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H17BrN2O3S/c1-25-18-12-15(21(26)24-13-14-6-9-16(23)10-7-14)8-11-20(18)29(28)19-5-3-2-4-17(19)22(25)27/h2-12H,13H2,1H3,(H,24,26)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003070 (CHEMBL3234539) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H24N2O3S/c1-3-30-24-17-22(14-15-26(24)34(33)25-11-7-6-10-23(25)28(30)32)27(31)29-18(2)20-13-12-19-8-4-5-9-21(19)16-20/h4-18H,3H2,1-2H3,(H,29,31)/t18-,34+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003064 (CHEMBL1503220) Show SMILES CCN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C24H22N2O4S/c1-3-26-20-14-17(23(27)25-15-16-8-11-18(30-2)12-9-16)10-13-22(20)31(29)21-7-5-4-6-19(21)24(26)28/h4-14H,3,15H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003072 (CHEMBL3234542) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C21H17N3O3S/c1-24-17-11-15(20(25)23-13-14-5-4-10-22-12-14)8-9-19(17)28(27)18-7-3-2-6-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003073 (CHEMBL3234543) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCN1CCCC1 |r| Show InChI InChI=1S/C21H23N3O3S/c1-23-17-14-15(20(25)22-10-13-24-11-4-5-12-24)8-9-19(17)28(27)18-7-3-2-6-16(18)21(23)26/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,22,25)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003071 (CHEMBL3234541) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H17BrN2O3S/c1-25-18-12-15(21(26)24-13-14-6-9-16(23)10-7-14)8-11-20(18)29(28)19-5-3-2-4-17(19)22(25)27/h2-12H,13H2,1H3,(H,24,26)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003069 (CHEMBL3234538) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-27-20-14-17(23(28)26-15(2)16-8-11-18(25)12-9-16)10-13-22(20)31(30)21-7-5-4-6-19(21)24(27)29/h4-15H,3H2,1-2H3,(H,26,28)/t15-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003069 (CHEMBL3234538) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21BrN2O3S/c1-3-27-20-14-17(23(28)26-15(2)16-8-11-18(25)12-9-16)10-13-22(20)31(30)21-7-5-4-6-19(21)24(27)29/h4-15H,3H2,1-2H3,(H,26,28)/t15-,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003063 (CHEMBL3234237) Show SMILES Fc1ccc(CN2CCC(CC2)Nc2ccc(nn2)C(F)(F)F)cc1F Show InChI InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003064 (CHEMBL1503220) Show SMILES CCN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C24H22N2O4S/c1-3-26-20-14-17(23(27)25-15-16-8-11-18(30-2)12-9-16)10-13-22(20)31(29)21-7-5-4-6-19(21)24(26)28/h4-14H,3,15H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003070 (CHEMBL3234539) Show SMILES CCN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)N[C@H](C)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H24N2O3S/c1-3-30-24-17-22(14-15-26(24)34(33)25-11-7-6-10-23(25)28(30)32)27(31)29-18(2)20-13-12-19-8-4-5-9-21(19)16-20/h4-18H,3H2,1-2H3,(H,29,31)/t18-,34+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003074 (CHEMBL3234544) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003065 (CHEMBL3234522) Show SMILES CN1c2cc(ccc2[S+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003072 (CHEMBL3234542) Show SMILES CN1c2cc(ccc2[S@@+]([O-])c2ccccc2C1=O)C(=O)NCc1cccnc1 |r| Show InChI InChI=1S/C21H17N3O3S/c1-24-17-11-15(20(25)23-13-14-5-4-10-22-12-14)8-9-19(17)28(27)18-7-3-2-6-16(18)21(24)26/h2-12H,13H2,1H3,(H,23,25)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50003075 (CHEMBL3234545) Show SMILES CN1c2cc(ccc2[S@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D2L receptor expressed in HEK cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50003075 (CHEMBL3234545) Show SMILES CN1c2cc(ccc2[S@+]([O-])c2ccccc2C1=O)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C21H18N2O3S2/c1-23-17-13-14(20(24)22-11-10-15-5-4-12-27-15)8-9-19(17)28(26)18-7-3-2-6-16(18)21(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone from human D3 receptor expressed in HEK293 cell membrane after 90 mins by scintillation counting analysis				J Med Chem 57: 3450-63 (2014) Article DOI: 10.1021/jm500126s BindingDB Entry DOI: 10.7270/Q2MW2JN2
					More data for this Ligand-Target Pair
Eyes absent homolog 2 [253-538] (Homo sapiens (Human))	BDBM231626 (NCGC00249327) Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ccccn2)s1 Show InChI InChI=1S/C17H12FN3OS2/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	6.5	25
University of Colorado School of Medicine					Assay Description Eya activity was measured in 50-μl reactions using black, 96-well, half-volume microtiter plates (Greiner Bio-one) with the substrate OMFP (3-O-...				J Biol Chem 289: 16349-61 (2014) Article DOI: 10.1074/jbc.M114.566729 BindingDB Entry DOI: 10.7270/Q2CC0ZJK
					More data for this Ligand-Target Pair
Eyes absent homolog 2 [253-538] (Homo sapiens (Human))	BDBM231625 (MLS000544460) Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ccccn2)o1 Show InChI InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	6.5	25
University of Colorado School of Medicine					Assay Description Eya activity was measured in 50-μl reactions using black, 96-well, half-volume microtiter plates (Greiner Bio-one) with the substrate OMFP (3-O-...				J Biol Chem 289: 16349-61 (2014) Article DOI: 10.1074/jbc.M114.566729 BindingDB Entry DOI: 10.7270/Q2CC0ZJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eyes absent homolog 2 [253-538] (Homo sapiens (Human))	BDBM231627 (MLS000585814) Show SMILES Cc1ccccc1C(=O)N\N=C\c1ccc(Sc2ccccn2)o1 Show InChI InChI=1S/C18H15N3O2S/c1-13-6-2-3-7-15(13)18(22)21-20-12-14-9-10-17(23-14)24-16-8-4-5-11-19-16/h2-12H,1H3,(H,21,22)/b20-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	6.5	25
University of Colorado School of Medicine					Assay Description Eya activity was measured in 50-μl reactions using black, 96-well, half-volume microtiter plates (Greiner Bio-one) with the substrate OMFP (3-O-...				J Biol Chem 289: 16349-61 (2014) Article DOI: 10.1074/jbc.M114.566729 BindingDB Entry DOI: 10.7270/Q2CC0ZJK
					More data for this Ligand-Target Pair
Eyes absent homolog 2 [253-538] (Homo sapiens (Human))	BDBM231625 (MLS000544460) Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ccccn2)o1 Show InChI InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	6.5	25
University of Colorado School of Medicine					Assay Description Eya proteins were purified via S200 in isothermal titration calorimetry (ITC) buffer (50mM NaPO4 buffer, pH 6.5, 50 mM NaCl). Inhibitor solutions wer...				J Biol Chem 289: 16349-61 (2014) Article DOI: 10.1074/jbc.M114.566729 BindingDB Entry DOI: 10.7270/Q2CC0ZJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eyes absent homolog 2 [253-538] (Homo sapiens (Human))	BDBM231625 (MLS000544460) Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ccccn2)o1 Show InChI InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	6.10E+3	n/a	n/a	n/a	6.5	25
University of Colorado School of Medicine					Assay Description Eya proteins were purified via S200 in isothermal titration calorimetry (ITC) buffer (50mM NaPO4 buffer, pH 6.5, 50 mM NaCl). Inhibitor solutions wer...				J Biol Chem 289: 16349-61 (2014) Article DOI: 10.1074/jbc.M114.566729 BindingDB Entry DOI: 10.7270/Q2CC0ZJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eyes absent homolog 2 [253-538] (Homo sapiens (Human))	BDBM231625 (MLS000544460) Show SMILES Fc1cccc(c1)C(=O)N\N=C\c1ccc(Sc2ccccn2)o1 Show InChI InChI=1S/C17H12FN3O2S/c18-13-5-3-4-12(10-13)17(22)21-20-11-14-7-8-16(23-14)24-15-6-1-2-9-19-15/h1-11H,(H,21,22)/b20-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	6.5	25
University of Colorado School of Medicine					Assay Description Eya proteins were purified via S200 in isothermal titration calorimetry (ITC) buffer (50mM NaPO4 buffer, pH 6.5, 50 mM NaCl). Inhibitor solutions wer...				J Biol Chem 289: 16349-61 (2014) Article DOI: 10.1074/jbc.M114.566729 BindingDB Entry DOI: 10.7270/Q2CC0ZJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449838 (CHEMBL3718273) Show SMILES CC(C)(C)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 Show InChI InChI=1S/C24H30N2O2/c1-24(2,3)18-12-9-13-19(16-18)25-23(28)20-14-7-8-15-21(20)26-22(27)17-10-5-4-6-11-17/h7-9,12-17H,4-6,10-11H2,1-3H3,(H,25,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449839 (CHEMBL3716871) Show SMILES Brc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 Show InChI InChI=1S/C20H21BrN2O2/c21-15-9-6-10-16(13-15)22-20(25)17-11-4-5-12-18(17)23-19(24)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449840 (CHEMBL3716462) Show SMILES FC(F)(F)S(=O)(=O)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1 Show InChI InChI=1S/C21H21F3N2O4S/c22-21(23,24)31(29,30)16-10-6-9-15(13-16)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449841 (CHEMBL3716488) Show SMILES CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H21F3N2O2/c1-3-13(4-2)18(26)25-17-11-6-5-10-16(17)19(27)24-15-9-7-8-14(12-15)20(21,22)23/h5-13H,3-4H2,1-2H3,(H,24,27)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.29E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449842 (CHEMBL3719295) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)C2CCCC2)c1 Show InChI InChI=1S/C20H19F3N2O2/c21-20(22,23)14-8-5-9-15(12-14)24-19(27)16-10-3-4-11-17(16)25-18(26)13-6-1-2-7-13/h3-5,8-13H,1-2,6-7H2,(H,24,27)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449843 (CHEMBL3718813) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F3N2O3/c1-30-17-11-9-14(10-12-17)20(28)27-19-8-3-2-7-18(19)21(29)26-16-6-4-5-15(13-16)22(23,24)25/h2-13H,1H3,(H,26,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449844 (CHEMBL3717553) Show SMILES COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H17F3N2O3/c1-30-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-15-8-6-7-14(13-15)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	334	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449845 (CHEMBL3717211) Show SMILES COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C22H17F3N2O5S/c1-32-19-12-5-3-10-17(19)21(29)27-18-11-4-2-9-16(18)20(28)26-14-7-6-8-15(13-14)33(30,31)22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	188	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449846 (CHEMBL3715235) Show SMILES CCCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F Show InChI InChI=1S/C24H21F3N2O5S/c1-2-14-34-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-16-8-7-9-17(15-16)35(32,33)24(25,26)27/h3-13,15H,2,14H2,1H3,(H,28,30)(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449847 (CHEMBL3715097) Show SMILES FC(F)(F)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H14ClF3N2O2/c22-17-10-3-1-8-15(17)19(28)27-18-11-4-2-9-16(18)20(29)26-14-7-5-6-13(12-14)21(23,24)25/h1-12H,(H,26,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449848 (CHEMBL3717178) Show SMILES FC(F)(F)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C22H14F6N2O3/c23-21(24,25)13-6-5-7-14(12-13)29-19(31)15-8-1-3-10-17(15)30-20(32)16-9-2-4-11-18(16)33-22(26,27)28/h1-12H,(H,29,31)(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449849 (CHEMBL3717089) Show SMILES CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	265	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449850 (CHEMBL3718541) Show SMILES CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H21F3N2O3/c1-15(2)32-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-17-9-7-8-16(14-17)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	471	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair
Relaxin receptor 1 (Homo sapiens (Human))	BDBM50449851 (CHEMBL3716581) Show SMILES COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O4/c1-31-18-11-6-12-19(32-2)20(18)22(30)28-17-10-4-3-9-16(17)21(29)27-15-8-5-7-14(13-15)23(24,25)26/h3-13H,1-2H3,(H,27,29)(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.47E+3	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Agonist activity at human RXFP1 expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by HTRF assay				Eur J Med Chem 156: 79-92 (2018) Article DOI: 10.1016/j.ejmech.2018.06.008 BindingDB Entry DOI: 10.7270/Q2474DD4
					More data for this Ligand-Target Pair

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