Compile Data Set for Download or QSAR

Found 1194 hits with Last Name = 'iguchi' and Initial = 'y'   

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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM86674 (ATC0175) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	7.23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 831-9 (2005) Article DOI: 10.1124/jpet.104.081711 BindingDB Entry DOI: 10.7270/Q2DB80D6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM86674 (ATC0175) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	9.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 831-9 (2005) Article DOI: 10.1124/jpet.104.081711 BindingDB Entry DOI: 10.7270/Q2DB80D6
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM86673 (ATC 0065 | ATC0065 | CAS_510732-84-0) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	15.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 831-9 (2005) Article DOI: 10.1124/jpet.104.081711 BindingDB Entry DOI: 10.7270/Q2DB80D6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM86674 (ATC0175) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;4.67,-.67,;6,1.64,;7.34,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;7.34,3.95,;7.34,5.49,;6,3.18,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	16.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 831-9 (2005) Article DOI: 10.1124/jpet.104.081711 BindingDB Entry DOI: 10.7270/Q2DB80D6
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM86673 (ATC 0065 | ATC0065 | CAS_510732-84-0) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NCCc2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |r,wU:10.13,7.6,(-7.34,-2.98,;-7.34,-1.44,;-8.67,-.67,;-6,-.67,;-4.67,-1.44,;-3.33,-.67,;-2,-1.44,;-.67,-.67,;.67,-1.44,;2,-.67,;2,.87,;.67,1.64,;-.67,.87,;3.33,1.64,;4.67,.87,;6,1.64,;7.34,.87,;7.34,-.67,;8.67,-1.44,;10,-.67,;11.34,-1.44,;10,.87,;8.67,1.64,;8.67,3.18,;10,3.95,;10.77,2.62,;9.23,5.29,;11.34,4.72,;-3.33,.87,;-4.67,1.64,;-4.67,3.18,;-6,3.95,;-7.34,3.18,;-7.34,1.64,;-6,.87,)| Show InChI InChI=1S/C25H29BrF3N5O/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33)/t18-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	266	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 313: 831-9 (2005) Article DOI: 10.1124/jpet.104.081711 BindingDB Entry DOI: 10.7270/Q2DB80D6
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50552997 (CHEMBL4797745) Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(F)cc4n3C)C2=O)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286760 (CHEMBL4170032) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r| Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286760 (CHEMBL4170032) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r| Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-15-10-24(3)20-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...				Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 BindingDB Entry DOI: 10.7270/Q2R49V2G
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286734 (CHEMBL4172988) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3n2C)CC1 |r| Show InChI InChI=1S/C34H37N5O4/c1-23(2)33(41)37-19-17-24(18-20-37)21-30(32-35-28-11-7-8-12-29(28)36(32)3)39-31(40)22-38(34(39)42)25-13-15-27(16-14-25)43-26-9-5-4-6-10-26/h4-16,23-24,30H,17-22H2,1-3H3/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50510491 (CHEMBL4552760) Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r| Show InChI InChI=1S/C36H41N5O5/c1-23(2)35(43)39-18-16-25(17-19-39)21-32(34-37-30-15-6-24(3)20-31(30)38(34)4)41-33(42)22-40(36(41)44)26-7-9-28(10-8-26)46-29-13-11-27(45-5)12-14-29/h6-15,20,23,25,32H,16-19,21-22H2,1-5H3/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50510487 (CHEMBL4569266) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(C)ccc3n2C)CC1 |r| Show InChI InChI=1S/C35H39N5O4/c1-23(2)34(42)38-18-16-25(17-19-38)21-31(33-36-29-20-24(3)10-15-30(29)37(33)4)40-32(41)22-39(35(40)43)26-11-13-28(14-12-26)44-27-8-6-5-7-9-27/h5-15,20,23,25,31H,16-19,21-22H2,1-4H3/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...				Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 BindingDB Entry DOI: 10.7270/Q2R49V2G
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50510491 (CHEMBL4552760) Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C)C2=O)cc1 |r| Show InChI InChI=1S/C36H41N5O5/c1-23(2)35(43)39-18-16-25(17-19-39)21-32(34-37-30-15-6-24(3)20-31(30)38(34)4)41-33(42)22-40(36(41)44)26-7-9-28(10-8-26)46-29-13-11-27(45-5)12-14-29/h6-15,20,23,25,32H,16-19,21-22H2,1-5H3/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...				Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 BindingDB Entry DOI: 10.7270/Q2R49V2G
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286761 (CHEMBL4169187) Show SMILES CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3n2C)CC1 |r| Show InChI InChI=1S/C32H33N5O4/c1-22(38)35-18-16-23(17-19-35)20-29(31-33-27-10-6-7-11-28(27)34(31)2)37-30(39)21-36(32(37)40)24-12-14-26(15-13-24)41-25-8-4-3-5-9-25/h3-15,23,29H,16-21H2,1-2H3/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286736 (CHEMBL4161262) Show SMILES Cc1ccc2nc([C@H](CC3CCN(CC3)C(=O)C3CCCC3)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1 |r| Show InChI InChI=1S/C37H41N5O4/c1-25-12-17-31-32(22-25)39(2)35(38-31)33(23-26-18-20-40(21-19-26)36(44)27-8-6-7-9-27)42-34(43)24-41(37(42)45)28-13-15-30(16-14-28)46-29-10-4-3-5-11-29/h3-5,10-17,22,26-27,33H,6-9,18-21,23-24H2,1-2H3/t33-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50553000 (CHEMBL4783205) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C2CC2)CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286763 (CHEMBL4169596) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(Cl)cc3n2C)CC1 |r| Show InChI InChI=1S/C34H36ClN5O4/c1-22(2)33(42)38-17-15-23(16-18-38)19-30(32-36-28-14-9-24(35)20-29(28)37(32)3)40-31(41)21-39(34(40)43)25-10-12-27(13-11-25)44-26-7-5-4-6-8-26/h4-14,20,22-23,30H,15-19,21H2,1-3H3/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50510495 (CHEMBL4453417) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r| Show InChI InChI=1S/C35H38FN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...				Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 BindingDB Entry DOI: 10.7270/Q2R49V2G
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50510495 (CHEMBL4453417) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r| Show InChI InChI=1S/C35H38FN5O4/c1-22(2)34(43)39-17-15-24(16-18-39)20-31(33-37-29-14-5-23(3)19-30(29)38(33)4)41-32(42)21-40(35(41)44)26-8-12-28(13-9-26)45-27-10-6-25(36)7-11-27/h5-14,19,22,24,31H,15-18,20-21H2,1-4H3/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50552999 (CHEMBL4749439) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(C)cc3n2C2CC2)CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286733 (CHEMBL4162312) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(F)ccc3n2C)CC1 |r| Show InChI InChI=1S/C34H36FN5O4/c1-22(2)33(42)38-17-15-23(16-18-38)19-30(32-36-28-20-24(35)9-14-29(28)37(32)3)40-31(41)21-39(34(40)43)25-10-12-27(13-11-25)44-26-7-5-4-6-8-26/h4-14,20,22-23,30H,15-19,21H2,1-3H3/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50552998 (CHEMBL4783777) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccc(F)cc3n2C)CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50552996 (CHEMBL4785930) Show SMILES COc1ccc(Oc2ccc(cc2)N2CC(=O)N([C@@H](CC3CCN(CC3)C(=O)C(C)C)c3nc4ccc(C)cc4n3C3CC3)C2=O)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286762 (CHEMBL4159402) Show SMILES CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1 |r| Show InChI InChI=1S/C33H35N5O4/c1-22-9-14-28-29(19-22)35(3)32(34-28)30(20-24-15-17-36(18-16-24)23(2)39)38-31(40)21-37(33(38)41)25-10-12-27(13-11-25)42-26-7-5-4-6-8-26/h4-14,19,24,30H,15-18,20-21H2,1-3H3/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074866 ((2-{3-[2-(4-Fluoro-phenyl)-ethoxy]-4-methoxy-pheny...) Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(F)cc2)c1 Show InChI InChI=1S/C23H32FNO2/c1-4-14-25(15-5-2)16-12-20-8-11-22(26-3)23(18-20)27-17-13-19-6-9-21(24)10-7-19/h6-11,18H,4-5,12-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50286764 (CHEMBL4176369) Show SMILES CC(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)c2nc3cc(F)ccc3n2C)CC1 |r| Show InChI InChI=1S/C32H32FN5O4/c1-21(39)36-16-14-22(15-17-36)18-29(31-34-27-19-23(33)8-13-28(27)35(31)2)38-30(40)20-37(32(38)41)24-9-11-26(12-10-24)42-25-6-4-3-5-7-25/h3-13,19,22,29H,14-18,20H2,1-2H3/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Hep3B cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity afte...				ACS Med Chem Lett 9: 78-83 (2018) Article DOI: 10.1021/acsmedchemlett.7b00363 BindingDB Entry DOI: 10.7270/Q2GQ7199
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074846 (CHEMBL545597 | [3-(4-Methoxy-3-phenethyloxy-phenyl...) Show SMILES CCCN(CCC)CCCc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C24H35NO2/c1-4-16-25(17-5-2)18-9-12-22-13-14-23(26-3)24(20-22)27-19-15-21-10-7-6-8-11-21/h6-8,10-11,13-14,20H,4-5,9,12,15-19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074867 ((2-{4-Methoxy-3-[2-(4-methoxy-phenyl)-ethoxy]-phen...) Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccc(OC)cc2)c1 Show InChI InChI=1S/C24H35NO3/c1-5-15-25(16-6-2)17-13-21-9-12-23(27-4)24(19-21)28-18-14-20-7-10-22(26-3)11-8-20/h7-12,19H,5-6,13-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50170660 (CHEMBL190883 | CHEMBL521582 | N,N-dipropyl-2-[4-me...) Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C23H33NO2/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20/h6-12,19H,4-5,13-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50166561 (CHEMBL195380 | Naphthalene-1-sulfonic acid {4-[(4-...) Show SMILES Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.9,;3.57,-.12,;4.91,-.91,;4.89,-2.45,;6.22,-3.23,;7.57,-2.46,;8.9,-3.25,;9.65,-1.9,;7.79,-4.33,;10.21,-4.05,;11.56,-3.32,;12.87,-4.12,;12.83,-5.66,;11.48,-6.4,;11.43,-7.93,;10.09,-8.67,;8.77,-7.86,;8.81,-6.31,;10.17,-5.59,;3.56,-3.21,;2.23,-2.44,;-3.1,-.9,;-4.45,-.12,;-5.78,-.9,;-7.12,-.12,;-7.12,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074859 ((2-{3-[2-(3-Chloro-phenyl)-ethoxy]-4-methoxy-pheny...) Show SMILES CCCN(CCC)CCc1ccc(OC)c(OCCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C23H32ClNO2/c1-4-13-25(14-5-2)15-11-20-9-10-22(26-3)23(18-20)27-16-12-19-7-6-8-21(24)17-19/h6-10,17-18H,4-5,11-16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50166554 (CHEMBL192266 | N-{4-[(4-Amino-quinazolin-2-ylamino...) Show SMILES Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-3.12,3.75,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;9.64,-1.9,;7.78,-4.32,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C23H25BrF3N5O3S/c24-16-9-10-20(19(11-16)35-23(25,26)27)36(33,34)30-13-15-7-5-14(6-8-15)12-29-22-31-18-4-2-1-3-17(18)21(28)32-22/h1-4,9-11,14-15,30H,5-8,12-13H2,(H3,28,29,31,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074828 (CHEMBL11290 | {2-[3-Methoxy-2-(3-phenyl-propoxy)-p...) Show SMILES CCCN(CCC)CCc1cccc(OC)c1OCCCc1ccccc1 Show InChI InChI=1S/C24H35NO2/c1-4-17-25(18-5-2)19-16-22-14-9-15-23(26-3)24(22)27-20-10-13-21-11-7-6-8-12-21/h6-9,11-12,14-15H,4-5,10,13,16-20H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074827 (CHEMBL542298 | Hexyl-[2-(4-methoxy-3-phenethyloxy-...) Show SMILES CCCCCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C26H39NO2/c1-4-6-7-11-19-27(18-5-2)20-16-24-14-15-25(28-3)26(22-24)29-21-17-23-12-9-8-10-13-23/h8-10,12-15,22H,4-7,11,16-21H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50553001 (CHEMBL4778665) Show SMILES CC(C)C(=O)N1CCC(C[C@H](N2C(=O)CN(C2=O)c2ccc(Oc3ccc(F)cc3)cc2)c2nc3ccccc3n2C2CC2)CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against recombinant human FXR transfected in human HuH-7 cells co-transfected with FRE-luciferase assessed as reduction in CDCA-i...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00640 BindingDB Entry DOI: 10.7270/Q2QZ2FKJ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50302559 (CHEMBL578049 | N-(cis-4-{[4-(Dimethylamino)-5-meth...) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)ncc1C |r,wU:10.13,7.6,(28.7,-29.71,;27.37,-30.48,;26.03,-29.71,;27.37,-32.02,;28.71,-32.78,;28.71,-34.33,;30.05,-35.1,;31.38,-34.33,;32.71,-35.11,;34.04,-34.34,;34.05,-32.8,;32.71,-32.03,;31.37,-32.8,;35.38,-32.04,;36.72,-32.81,;36.71,-34.35,;38.05,-32.04,;38.04,-30.51,;39.37,-29.74,;40.72,-30.51,;42.05,-29.74,;40.71,-32.05,;42.04,-32.83,;39.38,-32.82,;27.38,-35.11,;26.04,-34.34,;26.05,-32.79,;24.71,-32.02,)| Show InChI InChI=1S/C20H25F2N5O/c1-12-11-23-20(26-18(12)27(2)3)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)10-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...				Bioorg Med Chem Lett 19: 6166-71 (2009) Article DOI: 10.1016/j.bmcl.2009.09.003 BindingDB Entry DOI: 10.7270/Q2KK9BVH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50170193 (CHEMBL360081 | N-[4-(4-Dimethylamino-quinazolin-2-...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1 |wU:13.13,16.20,(10.67,4.4,;9.34,3.62,;9.34,2.08,;10.69,1.31,;10.69,-.23,;12.02,-1,;13.35,-.22,;9.36,-1,;8.01,-.23,;8.01,1.3,;6.68,-1,;6.68,-2.54,;5.35,-.23,;4.02,-1,;4.02,-2.54,;2.69,-3.31,;1.35,-2.53,;1.34,-1,;2.68,-.23,;.01,-3.3,;-1.32,-2.54,;-1.32,-.99,;-2.66,-.23,;-2.68,1.31,;-1.35,2.09,;-4.01,2.07,;-3.98,-1.01,;-5.32,-.24,;-6.65,-1.01,;-6.65,-2.55,;-5.32,-3.32,;-3.98,-2.55,;-2.65,-3.32,)| Show InChI InChI=1S/C25H31N5O3/c1-30(2)23-21-7-5-6-8-22(21)28-25(29-23)27-18-11-9-17(10-12-18)26-24(31)16-13-19(32-3)15-20(14-16)33-4/h5-8,13-15,17-18H,9-12H2,1-4H3,(H,26,31)(H,27,28,29)/t17-,18+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE...				Bioorg Med Chem Lett 15: 3853-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.121 BindingDB Entry DOI: 10.7270/Q23R0TM4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50302561 (CHEMBL568208 | N-((cis)-4-(4-(dimethylamino)-5,6-d...) Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc(C)c1C |r,wU:10.13,7.6,(31.14,-40.07,;29.81,-40.85,;28.48,-40.08,;29.82,-42.39,;31.15,-43.15,;31.16,-44.7,;32.49,-45.47,;33.82,-44.7,;35.16,-45.48,;36.48,-44.71,;36.49,-43.17,;35.16,-42.4,;33.82,-43.17,;37.83,-42.4,;39.16,-43.18,;39.15,-44.72,;40.49,-42.41,;40.49,-40.88,;41.82,-40.11,;43.16,-40.88,;44.49,-40.11,;43.15,-42.42,;44.48,-43.19,;41.82,-43.19,;29.82,-45.47,;28.49,-44.7,;27.15,-45.47,;28.49,-43.16,;27.15,-42.39,)| Show InChI InChI=1S/C21H27F2N5O/c1-12-13(2)24-21(27-19(12)28(3)4)26-16-8-6-15(7-9-16)25-20(29)14-5-10-17(22)18(23)11-14/h5,10-11,15-16H,6-9H2,1-4H3,(H,25,29)(H,24,26,27)/t15-,16+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...				Bioorg Med Chem Lett 19: 6166-71 (2009) Article DOI: 10.1016/j.bmcl.2009.09.003 BindingDB Entry DOI: 10.7270/Q2KK9BVH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064943 ((1-{3-[2-Fluoro-4-(imino-thiazolidin-3-yl-methyl)-...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCSC1 Show InChI InChI=1S/C27H39FN4O4S/c1-5-22(27(3,4)26(35)31-11-9-18(10-12-31)15-23(33)36-6-2)30-25(34)20-8-7-19(16-21(20)28)24(29)32-13-14-37-17-32/h7-8,16,18,22,29H,5-6,9-15,17H2,1-4H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50510488 (CHEMBL4519419) Show SMILES CC(C)Cn1c(nc2ccc(C)cc12)[C@H](CC1CCN(CC1)C(=O)C(C)C)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C38H45N5O4/c1-25(2)23-42-33-21-27(5)11-16-32(33)39-36(42)34(22-28-17-19-40(20-18-28)37(45)26(3)4)43-35(44)24-41(38(43)46)29-12-14-31(15-13-29)47-30-9-7-6-8-10-30/h6-16,21,25-26,28,34H,17-20,22-24H2,1-5H3/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human FXR expressed in Huh7 cells assessed as inhibition of CDCA-induced FXR response element driven luciferase activity after...				Bioorg Med Chem 27: 2220-2227 (2019) Article DOI: 10.1016/j.bmc.2019.04.029 BindingDB Entry DOI: 10.7270/Q2R49V2G
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50166552 (4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...) Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12 |(-3.05,2.98,;-4.31,2.09,;-5.71,2.73,;-4.31,.55,;-2.96,-.23,;-2.94,-1.78,;-1.63,-2.55,;-.28,-1.78,;1.05,-2.55,;2.38,-1.78,;3.71,-2.58,;3.7,-4.12,;2.37,-4.88,;1.04,-4.09,;5.03,-4.89,;6.36,-4.12,;7.12,-5.45,;5.26,-3.02,;7.67,-3.3,;9.02,-4.05,;10.33,-3.25,;10.3,-1.69,;11.61,-.89,;8.94,-.97,;7.64,-1.77,;6.28,-1.04,;6.23,.51,;6.22,2.05,;4.68,.49,;7.76,.51,;-4.29,-2.57,;-5.64,-1.8,;-6.97,-2.57,;-8.3,-1.8,;-8.3,-.24,;-6.97,.53,;-5.64,-.24,)| Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50302552 (CHEMBL578166 | N-((cis)-4-(4-(dimethylamino)-6-met...) Show SMILES CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)n1 |r,wU:13.16,10.9,(10.5,-12.56,;9.17,-13.34,;7.83,-12.57,;9.17,-14.88,;7.85,-15.65,;7.84,-17.19,;6.51,-17.96,;9.18,-17.96,;10.51,-17.19,;11.85,-17.96,;13.18,-17.19,;14.51,-17.97,;15.84,-17.2,;15.85,-15.66,;14.51,-14.89,;13.17,-15.66,;17.18,-14.89,;18.52,-15.67,;18.51,-17.21,;19.85,-14.9,;19.84,-13.37,;21.17,-12.6,;22.52,-13.37,;23.85,-12.6,;22.51,-14.91,;23.84,-15.68,;21.18,-15.68,;10.51,-15.64,)| Show InChI InChI=1S/C20H25F2N5O/c1-12-10-18(27(2)3)26-20(23-12)25-15-7-5-14(6-8-15)24-19(28)13-4-9-16(21)17(22)11-13/h4,9-11,14-15H,5-8H2,1-3H3,(H,24,28)(H,23,25,26)/t14-,15+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Arena Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...				Bioorg Med Chem Lett 19: 6166-71 (2009) Article DOI: 10.1016/j.bmcl.2009.09.003 BindingDB Entry DOI: 10.7270/Q2KK9BVH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064930 (CHEMBL77113 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1cccc(O)c1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-12-10-16(11-13-30)14-21(32)33)22(19-4-3-5-20(31)15-19)29-24(34)18-8-6-17(7-9-18)23(27)28/h3-9,15-16,22,31H,10-14H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064941 (CHEMBL78295 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...) Show SMILES CCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C22H31FN4O4/c1-4-17(26-20(30)15-6-5-14(19(24)25)12-16(15)23)22(2,3)21(31)27-9-7-13(8-10-27)11-18(28)29/h5-6,12-13,17H,4,7-11H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064942 (CHEMBL74908 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H36N4O4/c1-15(2)13-19(27-22(31)18-7-5-17(6-8-18)21(25)26)24(3,4)23(32)28-11-9-16(10-12-28)14-20(29)30/h5-8,15-16,19H,9-14H2,1-4H3,(H3,25,26)(H,27,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064935 (CHEMBL312368 | {1-[3-(4-Carbamimidoyl-2-fluoro-ben...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(N)=N Show InChI InChI=1S/C24H35FN4O4/c1-5-19(28-22(31)17-8-7-16(21(26)27)14-18(17)25)24(3,4)23(32)29-11-9-15(10-12-29)13-20(30)33-6-2/h7-8,14-15,19H,5-6,9-13H2,1-4H3,(H3,26,27)(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50170189 (4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...) Show SMILES CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |wU:8.7,wD:11.11,(2.23,-6.29,;3.56,-7.05,;4.89,-6.27,;3.58,-8.59,;4.92,-9.36,;4.92,-10.9,;6.27,-11.68,;7.6,-10.9,;8.93,-11.68,;10.25,-10.9,;11.58,-11.68,;11.57,-13.22,;12.91,-13.99,;13.99,-12.89,;15.32,-13.66,;16.42,-14.76,;13.99,-14.43,;16.66,-12.89,;16.65,-11.35,;17.96,-10.57,;19.32,-11.32,;20.65,-10.55,;19.32,-12.87,;18,-13.65,;18,-15.2,;19.48,-15.6,;20.84,-15.95,;20.14,-17.05,;20.79,-14.64,;10.24,-13.97,;8.92,-13.21,;3.59,-11.69,;2.25,-10.92,;.91,-11.7,;-.42,-10.93,;-.42,-9.38,;.91,-8.6,;2.25,-9.38,)| Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33)/t16-,17-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against neuropeptide Y receptor type 5 by using [125I]PYY as radioligand expressed in COS-1 cells				Bioorg Med Chem Lett 15: 3853-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.121 BindingDB Entry DOI: 10.7270/Q23R0TM4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074839 (CHEMBL542047 | [2-(3-Methoxy-2-phenethyloxy-phenyl...) Show SMILES CCCN(CCC)CCc1cccc(OC)c1OCCc1ccccc1 Show InChI InChI=1S/C23H33NO2/c1-4-16-24(17-5-2)18-14-21-12-9-13-22(25-3)23(21)26-19-15-20-10-7-6-8-11-20/h6-13H,4-5,14-19H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50402166 (CHEMBL2207988) Show SMILES Cc1csc(n1)-c1[nH]cnc1-c1ccc2ncsc2c1 Show InChI InChI=1S/C14H10N4S2/c1-8-5-19-14(18-8)13-12(15-6-16-13)9-2-3-10-11(4-9)20-7-17-10/h2-7H,1H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA				Bioorg Med Chem 20: 7128-38 (2012) Article DOI: 10.1016/j.bmc.2012.09.066 BindingDB Entry DOI: 10.7270/Q2542PQ0
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 (Homo sapiens (Human))	BDBM50166555 (4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...) Show SMILES CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |(-1.86,4.64,;-3.12,3.75,;-4.52,4.4,;-3.12,2.21,;-1.77,1.44,;-1.75,-.12,;-.44,-.89,;.91,-.12,;2.24,-.89,;3.57,-.12,;4.9,-.91,;4.88,-2.45,;6.21,-3.23,;7.56,-2.46,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;10.2,-4.04,;11.55,-3.32,;12.86,-4.11,;12.82,-5.65,;14.12,-6.47,;11.46,-6.39,;10.16,-5.58,;8.8,-6.32,;8.76,-7.86,;7.22,-7.85,;10.3,-7.86,;8.75,-9.4,;3.55,-3.2,;2.22,-2.43,;-3.1,-.89,;-4.45,-.12,;-5.78,-.89,;-7.11,-.12,;-7.11,1.42,;-5.78,2.19,;-4.45,1.42,)| Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50074865 (CHEMBL542295 | [2-(4-Methoxy-3-phenethyloxy-phenyl...) Show SMILES CCCN(CCC(C)C)CCc1ccc(OC)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C25H37NO2/c1-5-16-26(17-13-21(2)3)18-14-23-11-12-24(27-4)25(20-23)28-19-15-22-9-7-6-8-10-22/h6-12,20-21H,5,13-19H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against radioligand [3H]3-PPP binding to Sigma opioid receptor type 1 in rat brain membrane				J Med Chem 42: 1076-87 (1999) Article DOI: 10.1021/jm980212v BindingDB Entry DOI: 10.7270/Q29C6Z4V
					More data for this Ligand-Target Pair

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