Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'yanni' and Initial = 'jm'   

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
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009228 (CHEMBL413846 | SP (substance P) | Spantide) Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=O Show InChI InChI=1S/C60H92N16O13S/c1-36(2)31-43(53(82)72-42(59(88)89)25-30-90-3)70-50(79)34-67-51(80)44(32-37-15-6-4-7-16-37)73-54(83)45(33-38-17-8-5-9-18-38)74-52(81)40(23-24-48(63)77)69-49(78)35-68-55(84)46-21-13-29-76(46)58(87)41(20-12-27-66-60(64)65)71-56(85)47-22-14-28-75(47)57(86)39(62)19-10-11-26-61/h4-9,15-18,36,39-47H,10-14,19-35,61-62H2,1-3H3,(H2,63,77)(H,67,80)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,82)(H,73,83)(H,74,81)(H,88,89)(H4,64,65,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50001450 ((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317611 (4-(3,5-dichloropyridin-4-ylamino)-8-(3-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCN(C)C Show InChI InChI=1S/C20H21Cl2N3O4/c1-25(2)7-4-8-28-20-16(27-3)6-5-12-15(9-17(26)29-19(12)20)24-18-13(21)10-23-11-14(18)22/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317609 (8-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCC(O)=O Show InChI InChI=1S/C23H24Cl2N2O6/c1-31-18-9-8-14-17(27-21-15(24)12-26-13-16(21)25)11-20(30)33-22(14)23(18)32-10-6-4-2-3-5-7-19(28)29/h8-9,11-13H,2-7,10H2,1H3,(H,26,27)(H,28,29)	PDB 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
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM14775 (3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...) Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317610 (9-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCC(O)=O Show InChI InChI=1S/C24H26Cl2N2O6/c1-32-19-10-9-15-18(28-22-16(25)13-27-14-17(22)26)12-21(31)34-23(15)24(19)33-11-7-5-3-2-4-6-8-20(29)30/h9-10,12-14H,2-8,11H2,1H3,(H,27,28)(H,29,30)	PDB 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
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317616 (4-(3,5-dichloropyridin-4-ylamino)-8-(8-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCCN(C)C Show InChI InChI=1S/C25H31Cl2N3O4/c1-30(2)12-8-6-4-5-7-9-13-33-25-21(32-3)11-10-17-20(14-22(31)34-24(17)25)29-23-18(26)15-28-16-19(23)27/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,29)	PDB 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
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317615 (4-(3,5-dichloropyridin-4-ylamino)-8-(7-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCCN(C)C Show InChI InChI=1S/C24H29Cl2N3O4/c1-29(2)11-7-5-4-6-8-12-32-24-20(31-3)10-9-16-19(13-21(30)33-23(16)24)28-22-17(25)14-27-15-18(22)26/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317604 (2-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCC(O)=O Show InChI InChI=1S/C17H12Cl2N2O6/c1-25-12-3-2-8-11(21-15-9(18)5-20-6-10(15)19)4-14(24)27-16(8)17(12)26-7-13(22)23/h2-6H,7H2,1H3,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317603 (8-(cyclopentyloxy)-4-(3,5-dichloropyridin-4-ylamin...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1 Show InChI InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317614 (4-(3,5-dichloropyridin-4-ylamino)-8-(6-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCN(C)C Show InChI InChI=1S/C23H27Cl2N3O4/c1-28(2)10-6-4-5-7-11-31-23-19(30-3)9-8-15-18(12-20(29)32-22(15)23)27-21-16(24)13-26-14-17(21)25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50017371 (1-[4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-...) Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1)C(C)=O Show InChI InChI=1S/C30H33F2NO4/c1-21(34)22-4-13-28(29(20-22)36-2)37-19-3-16-33-17-14-25(15-18-33)30(35,23-5-9-26(31)10-6-23)24-7-11-27(32)12-8-24/h4-13,20,25,35H,3,14-19H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
A.H. Robins Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex				J Med Chem 32: 105-18 (1989) BindingDB Entry DOI: 10.7270/Q2WM1CD6
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM76863 (3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzim...) Show SMILES O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
A.H. Robins Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to Histamine H1 receptor in guinea pig cerebral cortex				J Med Chem 32: 105-18 (1989) BindingDB Entry DOI: 10.7270/Q2WM1CD6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317608 (7-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCCC(O)=O Show InChI InChI=1S/C22H22Cl2N2O6/c1-30-17-8-7-13-16(26-20-14(23)11-25-12-15(20)24)10-19(29)32-21(13)22(17)31-9-5-3-2-4-6-18(27)28/h7-8,10-12H,2-6,9H2,1H3,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317613 (4-(3,5-dichloropyridin-4-ylamino)-8-(5-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCN(C)C Show InChI InChI=1S/C22H25Cl2N3O4/c1-27(2)9-5-4-6-10-30-22-18(29-3)8-7-14-17(11-19(28)31-21(14)22)26-20-15(23)12-25-13-16(20)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50017374 (1-(4-{3-[4-(Hydroxy-diphenyl-methyl)-piperidin-1-y...) Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1)C(C)=O Show InChI InChI=1S/C30H35NO4/c1-23(32)24-14-15-28(29(22-24)34-2)35-21-9-18-31-19-16-27(17-20-31)30(33,25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-15,22,27,33H,9,16-21H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
A.H. Robins Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex				J Med Chem 32: 105-18 (1989) BindingDB Entry DOI: 10.7270/Q2WM1CD6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317607 (6-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCCC(O)=O Show InChI InChI=1S/C21H20Cl2N2O6/c1-29-16-7-6-12-15(25-19-13(22)10-24-11-14(19)23)9-18(28)31-20(12)21(16)30-8-4-2-3-5-17(26)27/h6-7,9-11H,2-5,8H2,1H3,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317612 (4-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylam...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCN(C)C Show InChI InChI=1S/C21H23Cl2N3O4/c1-26(2)8-4-5-9-29-21-17(28-3)7-6-13-16(10-18(27)30-20(13)21)25-19-14(22)11-24-12-15(19)23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50017372 (4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-pip...) Show SMILES COC(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C29H31F2NO4/c1-35-28(33)21-3-13-27(14-4-21)36-20-2-17-32-18-15-24(16-19-32)29(34,22-5-9-25(30)10-6-22)23-7-11-26(31)12-8-23/h3-14,24,34H,2,15-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
A.H. Robins Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex				J Med Chem 32: 105-18 (1989) BindingDB Entry DOI: 10.7270/Q2WM1CD6
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317606 (5-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCCC(O)=O Show InChI InChI=1S/C20H18Cl2N2O6/c1-28-15-6-5-11-14(24-18-12(21)9-23-10-13(18)22)8-17(27)30-19(11)20(15)29-7-3-2-4-16(25)26/h5-6,8-10H,2-4,7H2,1H3,(H,23,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002461 (10-Ethyl-1-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-...) Show SMILES CCN1\C(Sc2ccccc12)=C/C=C1CC(C)[n+]2c1n(CC)c1cc3ccccc3cc21 Show InChI InChI=1S/C28H28N3S/c1-4-29-23-12-8-9-13-26(23)32-27(29)15-14-22-16-19(3)31-25-18-21-11-7-6-10-20(21)17-24(25)30(5-2)28(22)31/h6-15,17-19H,4-5,16H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50017376 ((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...) Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
A.H. Robins Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex				J Med Chem 32: 105-18 (1989) BindingDB Entry DOI: 10.7270/Q2WM1CD6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002464 (10-Ethyl-1-[2-(1,1,3-trimethyl-1,3-dihydro-benzo[e...) Show SMILES CCn1c2C(CC(C)[n+]2c2cc3ccccc3cc12)=C\C=C1/N(C)c2ccc3ccccc3c2C1(C)C Show InChI InChI=1S/C34H34N3/c1-6-36-29-20-24-12-7-8-13-25(24)21-30(29)37-22(2)19-26(33(36)37)16-18-31-34(3,4)32-27-14-10-9-11-23(27)15-17-28(32)35(31)5/h7-18,20-22H,6,19H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002460 (1,3-Diethyl-2-[3-(3-ethyl-3H-benzooxazol-2-ylidene...) Show SMILES CCN1\C(Oc2ccccc12)=C/C=C/c1n(CC)c2cc3ccccc3cc2[n+]1CC Show InChI InChI=1S/C27H28N3O/c1-4-28-23-18-20-12-7-8-13-21(20)19-24(23)29(5-2)26(28)16-11-17-27-30(6-3)22-14-9-10-15-25(22)31-27/h7-19H,4-6H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002456 (1,3-Diethyl-2-[3-(3-ethyl-3H-benzothiazol-2-yliden...) Show SMILES CCN1\C(Sc2ccccc12)=C/C=C/c1n(CC)c2cc3ccccc3cc2[n+]1CC Show InChI InChI=1S/C27H28N3S/c1-4-28-23-18-20-12-7-8-13-21(20)19-24(23)29(5-2)26(28)16-11-17-27-30(6-3)22-14-9-10-15-25(22)31-27/h7-19H,4-6H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009225 (3-Ethyl-1-(3-hydroxy-propyl)-2-[3-(1,3,3-trimethyl...) Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCO)c2nc3ccccc3nc12 Show InChI InChI=1S/C28H32N5O/c1-5-32-25(17-10-16-24-28(2,3)20-12-6-9-15-23(20)31(24)4)33(18-11-19-34)27-26(32)29-21-13-7-8-14-22(21)30-27/h6-10,12-17,34H,5,11,18-19H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002459 (1,3-Diethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro...) Show SMILES CCN1\C(=C/C=C/c2n(CC)c3cc4ccccc4cc3[n+]2CC)C(C)(C)c2ccccc12 Show InChI InChI=1S/C30H34N3/c1-6-31-25-17-12-11-16-24(25)30(4,5)28(31)18-13-19-29-32(7-2)26-20-22-14-9-10-15-23(22)21-27(26)33(29)8-3/h9-21H,6-8H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009226 (1,3-Diethyl-2-[3-(1-ethyl-3,3-dimethyl-1,3-dihydro...) Show SMILES CCN1\C(=C\C=C\c2n(CC)c3nc4ccccc4nc3[n+]2CC)C(C)(C)c2ccccc12 Show InChI InChI=1S/C28H32N5/c1-6-31-23-17-12-9-14-20(23)28(4,5)24(31)18-13-19-25-32(7-2)26-27(33(25)8-3)30-22-16-11-10-15-21(22)29-26/h9-19H,6-8H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002458 (1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2cc3ccccc3cc12 Show InChI InChI=1S/C29H32N3/c1-6-31-25-19-21-13-8-9-14-22(21)20-26(25)32(7-2)28(31)18-12-17-27-29(3,4)23-15-10-11-16-24(23)30(27)5/h8-20H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50092350 ((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1 Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009234 (1-(3-Acetoxy-propyl)-3-ethyl-2-[3-(1,3,3-trimethyl...) Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCOC(C)=O)c2nc3ccccc3nc12 Show InChI InChI=1S/C30H34N5O2/c1-6-34-27(18-11-17-26-30(3,4)22-13-7-10-16-25(22)33(26)5)35(19-12-20-37-21(2)36)29-28(34)31-23-14-8-9-15-24(23)32-29/h7-11,13-18H,6,12,19-20H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002457 (1-(2-Acetoxy-ethyl)-3-ethyl-2-[3-(1,3,3-trimethyl-...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CCOC(C)=O)c2cc3ccccc3cc12 Show InChI InChI=1S/C31H34N3O2/c1-6-33-27-20-23-12-7-8-13-24(23)21-28(27)34(18-19-36-22(2)35)30(33)17-11-16-29-31(3,4)25-14-9-10-15-26(25)32(29)5/h7-17,20-21H,6,18-19H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002452 (3-Ethyl-1-(2-hydroxy-ethyl)-2-[3-(1,3,3-trimethyl-...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CCO)c2cc3ccccc3cc12 Show InChI InChI=1S/C29H32N3O/c1-5-31-25-19-21-11-6-7-12-22(21)20-26(25)32(17-18-33)28(31)16-10-15-27-29(2,3)23-13-8-9-14-24(23)30(27)4/h6-16,19-20,33H,5,17-18H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002454 (CHEMBL386306 | D-Lys(Nicotinoyl)-Pro(3-Pyridyl)-Al...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C(Cl)C(Cl)CN1C(=O)[C@H](C)NC(=O)[C@@H]1C(CCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)c1cccnc1)C(O)=O Show InChI InChI=1S/C86H103Cl2N17O14/c1-5-6-29-64(86(118)119)97-76(108)65(38-49(2)3)98-79(111)68(41-55-46-93-61-30-15-13-27-57(55)61)100-77(109)66(39-51-21-9-7-10-22-51)99-80(112)69(42-56-47-94-62-31-16-14-28-58(56)62)101-81(113)70(43-71(90)106)102-78(110)67(40-52-23-11-8-12-24-52)103-83(115)74-72(88)60(87)48-105(74)84(116)50(4)95-82(114)73-59(53-25-19-35-91-44-53)33-37-104(73)85(117)63(32-17-18-34-89)96-75(107)54-26-20-36-92-45-54/h7-16,19-28,30-31,35-36,44-47,49-50,59-60,63-70,72-74,93-94H,5-6,17-18,29,32-34,37-43,48,89H2,1-4H3,(H2,90,106)(H,95,114)(H,96,107)(H,97,108)(H,98,111)(H,99,112)(H,100,109)(H,101,113)(H,102,110)(H,103,115)(H,118,119)/t50-,59?,60?,63-,64-,65-,66-,67-,68-,69-,70-,72?,73-,74-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002454 (CHEMBL386306 | D-Lys(Nicotinoyl)-Pro(3-Pyridyl)-Al...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C(Cl)C(Cl)CN1C(=O)[C@H](C)NC(=O)[C@@H]1C(CCN1C(=O)[C@H](CCCCN)NC(=O)c1cccnc1)c1cccnc1)C(O)=O Show InChI InChI=1S/C86H103Cl2N17O14/c1-5-6-29-64(86(118)119)97-76(108)65(38-49(2)3)98-79(111)68(41-55-46-93-61-30-15-13-27-57(55)61)100-77(109)66(39-51-21-9-7-10-22-51)99-80(112)69(42-56-47-94-62-31-16-14-28-58(56)62)101-81(113)70(43-71(90)106)102-78(110)67(40-52-23-11-8-12-24-52)103-83(115)74-72(88)60(87)48-105(74)84(116)50(4)95-82(114)73-59(53-25-19-35-91-44-53)33-37-104(73)85(117)63(32-17-18-34-89)96-75(107)54-26-20-36-92-45-54/h7-16,19-28,30-31,35-36,44-47,49-50,59-60,63-70,72-74,93-94H,5-6,17-18,29,32-34,37-43,48,89H2,1-4H3,(H2,90,106)(H,95,114)(H,96,107)(H,97,108)(H,98,111)(H,99,112)(H,100,109)(H,101,113)(H,102,110)(H,103,115)(H,118,119)/t50-,59?,60?,63-,64-,65-,66-,67-,68-,69-,70-,72?,73-,74-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317599 (5-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-6-...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nccc2c1OC1CCCC1 Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-17-7-6-14-13(19(17)27-12-4-2-3-5-12)8-9-24-20(14)25-18-15(21)10-23-11-16(18)22/h6-12H,2-5H2,1H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002462 (1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002462 (1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...) Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009235 (1,3-Diethyl-2-[3-(3-methyl-3H-benzothiazol-2-ylide...) Show SMILES CCn1c(\C=C\C=C2/Sc3ccccc3N2C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C24H24N5S/c1-4-28-21(15-10-16-22-27(3)19-13-8-9-14-20(19)30-22)29(5-2)24-23(28)25-17-11-6-7-12-18(17)26-24/h6-16H,4-5H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002455 (10-Ethyl-1-[2-(1,3,3-trimethyl-1,3-dihydro-indol-2...) Show SMILES CCn1c2C(CC[n+]2c2cc3ccccc3cc12)=C\C=C1/N(C)c2ccccc2C1(C)C Show InChI InChI=1S/C29H30N3/c1-5-31-25-18-21-10-6-7-11-22(21)19-26(25)32-17-16-20(28(31)32)14-15-27-29(2,3)23-12-8-9-13-24(23)30(27)4/h6-15,18-19H,5,16-17H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009233 (1,3-Diethyl-2-[3-(1-methyl-2a,5-dihydro-1H-benzo[c...) Show SMILES CCn1c(\C=C\C=C2/C3C=CCc4cccc(N2C)c34)[n+](CC)c2nc3ccccc3nc12 |c:9| Show InChI InChI=1S/C28H28N5/c1-4-32-25(33(5-2)28-27(32)29-21-14-6-7-15-22(21)30-28)18-10-16-23-20-13-8-11-19-12-9-17-24(26(19)20)31(23)3/h6-10,12-18,20H,4-5,11H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009227 (1-(3-Ethoxycarbonyl-propyl)-3-ethyl-2-[3-(1,3,3-tr...) Show SMILES CCOC(=O)CCC[n+]1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)n(CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C31H36N5O2/c1-6-35-27(19-12-18-26-31(3,4)22-14-8-11-17-25(22)34(26)5)36(21-13-20-28(37)38-7-2)30-29(35)32-23-15-9-10-16-24(23)33-30/h8-12,14-19H,6-7,13,20-21H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50017373 (4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-pip...) Show SMILES CCOC(=O)c1ccc(OCCCN2CCC(CC2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33F2NO4/c1-2-36-29(34)22-4-14-28(15-5-22)37-21-3-18-33-19-16-25(17-20-33)30(35,23-6-10-26(31)11-7-23)24-8-12-27(32)13-9-24/h4-15,25,35H,2-3,16-21H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	956	n/a	n/a	n/a	n/a	n/a	n/a
A.H. Robins Company Curated by ChEMBL					Assay Description Inhibitory activity of the compound against Tritiated [3H]- mepyramine binding to histamine H1 receptor in guinea pig cerebral cortex				J Med Chem 32: 105-18 (1989) BindingDB Entry DOI: 10.7270/Q2WM1CD6
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009237 (1,3-Diethyl-2-{3-[1-(2-hydroxy-ethyl)-3,3-dimethyl...) Show SMILES CCn1c(\C=C\C=C2\N(CCO)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C28H32N5O/c1-5-31-25(32(6-2)27-26(31)29-21-13-8-9-14-22(21)30-27)17-11-16-24-28(3,4)20-12-7-10-15-23(20)33(24)18-19-34/h7-17,34H,5-6,18-19H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009231 (6,7-Dichloro-1,3-diethyl-2-[3-(1,3,3-trimethyl-1,3...) Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3cc(Cl)c(Cl)cc3nc12 Show InChI InChI=1S/C27H28Cl2N5/c1-6-33-24(14-10-13-23-27(3,4)17-11-8-9-12-22(17)32(23)5)34(7-2)26-25(33)30-20-15-18(28)19(29)16-21(20)31-26/h8-16H,6-7H2,1-5H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50317605 (4-(4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2-o...) Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OCCCC(O)=O Show InChI InChI=1S/C19H16Cl2N2O6/c1-27-14-5-4-10-13(23-17-11(20)8-22-9-12(17)21)7-16(26)29-18(10)19(14)28-6-2-3-15(24)25/h4-5,7-9H,2-3,6H2,1H3,(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDE4B (152-487) expressed in Escherichia coli BL21 (DE3) after 1 hr				Bioorg Med Chem Lett 20: 2928-32 (2010) Article DOI: 10.1016/j.bmcl.2010.03.023 BindingDB Entry DOI: 10.7270/Q2VD6ZMF
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50002451 (5-Ethyl-4-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-e...) Show SMILES CCN1\C(Sc2ccccc12)=C/C=C1\CCC[n+]2c1n(CC)c1cc3ccccc3cc21 Show InChI InChI=1S/C28H28N3S/c1-3-29-23-13-7-8-14-26(23)32-27(29)16-15-20-12-9-17-31-25-19-22-11-6-5-10-21(22)18-24(25)30(4-2)28(20)31/h5-8,10-11,13-16,18-19H,3-4,9,12,17H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1 of rat forebrain tissue				J Med Chem 35: 1273-9 (1992) BindingDB Entry DOI: 10.7270/Q2222SQM
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009236 (1-(3-Dimethylamino-propyl)-3-ethyl-2-[3-(1,3,3-tri...) Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCN(C)C)c2nc3ccccc3nc12 Show InChI InChI=1S/C30H37N6/c1-7-35-27(19-12-18-26-30(2,3)22-14-8-11-17-25(22)34(26)6)36(21-13-20-33(4)5)29-28(35)31-23-15-9-10-16-24(23)32-29/h8-12,14-19H,7,13,20-21H2,1-6H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009229 (1-(3-Carboxy-propyl)-3-ethyl-2-[3-(1,3,3-trimethyl...) Show SMILES CCn1c(\C=C\C=C2\N(C)c3ccccc3C2(C)C)[n+](CCCC(O)=O)c2nc3ccccc3nc12 Show InChI InChI=1S/C29H31N5O2/c1-5-33-25(17-10-16-24-29(2,3)20-12-6-9-15-23(20)32(24)4)34(19-11-18-26(35)36)28-27(33)30-21-13-7-8-14-22(21)31-28/h6-10,12-17H,5,11,18-19H2,1-4H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50009230 (1,3-Diethyl-2-[3-(3-methyl-thiazolidin-2-ylidene)-...) Show SMILES CCn1c(\C=C\C=C2/SCCN2C)[n+](CC)c2nc3ccccc3nc12 Show InChI InChI=1S/C20H24N5S/c1-4-24-17(11-8-12-18-23(3)13-14-26-18)25(5-2)20-19(24)21-15-9-6-7-10-16(15)22-20/h6-12H,4-5,13-14H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rochester Curated by ChEMBL					Assay Description Binding affinity for tachykinin receptor 1 from rat forebrain tissue, [125I]-BH-SP as radioligand				J Med Chem 34: 1751-3 (1991) BindingDB Entry DOI: 10.7270/Q2JQ11MP
					More data for this Ligand-Target Pair

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