Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50036763   

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))	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50059841 ((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards [3H]DAMGO, in rat Opioid receptor mu 1				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081923 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1 Show InChI InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-47-34(48-58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081924 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1 Show InChI InChI=1S/C39H47N9O9/c1-22(42-35(54)28(40)18-24-9-13-26(50)14-10-24)34(53)43-29(19-23-6-3-2-4-7-23)37-46-39(47-57-37)45-30(20-25-11-15-27(51)16-12-25)38(56)48-17-5-8-32(48)36(55)44-31(21-49)33(41)52/h2-4,6-7,9-16,22,28-32,49-51H,5,8,17-21,40H2,1H3,(H2,41,52)(H,42,54)(H,43,53)(H,44,55)(H,45,47)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081925 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1 Show InChI InChI=1S/C39H47N9O9/c1-22(42-35(54)28(40)18-24-9-13-26(50)14-10-24)34(53)43-29(19-23-6-3-2-4-7-23)37-46-47-39(57-37)45-30(20-25-11-15-27(51)16-12-25)38(56)48-17-5-8-32(48)36(55)44-31(21-49)33(41)52/h2-4,6-7,9-16,22,28-32,49-51H,5,8,17-21,40H2,1H3,(H2,41,52)(H,42,54)(H,43,53)(H,44,55)(H,45,47)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081929 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1 Show InChI InChI=1S/C40H50N10O8/c1-23(44-38(56)29(41)18-25-9-13-27(52)14-10-25)37(55)45-30(19-24-6-3-2-4-7-24)36-47-34(48-49-36)21-43-31(20-26-11-15-28(53)16-12-26)40(58)50-17-5-8-33(50)39(57)46-32(22-51)35(42)54/h2-4,6-7,9-16,23,29-33,43,51-53H,5,8,17-22,41H2,1H3,(H2,42,54)(H,44,56)(H,45,55)(H,46,57)(H,47,48,49)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081927 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1 Show InChI InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-48-47-34(58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081935 ((alpha)-H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1noc(n1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C63H96N18O12S/c1-37(2)33-45(75-54(85)40(65)27-32-94-3)50(82)36-53-78-60(93-79-53)47(35-39-17-8-5-9-18-39)77-57(88)46(34-38-15-6-4-7-16-38)76-56(87)42(23-25-51(67)83)72-55(86)43(24-26-52(68)84)73-58(89)49-22-14-31-81(49)62(92)44(20-10-11-28-64)74-59(90)48-21-13-30-80(48)61(91)41(66)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-66H2,1-3H3,(H2,67,83)(H2,68,84)(H,72,86)(H,73,89)(H,74,90)(H,75,85)(H,76,87)(H,77,88)(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	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50081926 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1 Show InChI InChI=1S/C39H48N10O8/c1-22(42-36(55)28(40)18-24-9-13-26(51)14-10-24)35(54)43-29(19-23-6-3-2-4-7-23)34-46-39(48-47-34)45-30(20-25-11-15-27(52)16-12-25)38(57)49-17-5-8-32(49)37(56)44-31(21-50)33(41)53/h2-4,6-7,9-16,22,28-32,50-52H,5,8,17-21,40H2,1H3,(H2,41,53)(H,42,55)(H,43,54)(H,44,56)(H2,45,46,47,48)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description The compound was tested for binding affinity towards rat Opioid receptor mu 1 by displacing [3H]DAMGO.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081927 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1 Show InChI InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-48-47-34(58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081924 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1 Show InChI InChI=1S/C39H47N9O9/c1-22(42-35(54)28(40)18-24-9-13-26(50)14-10-24)34(53)43-29(19-23-6-3-2-4-7-23)37-46-39(47-57-37)45-30(20-25-11-15-27(51)16-12-25)38(56)48-17-5-8-32(48)36(55)44-31(21-49)33(41)52/h2-4,6-7,9-16,22,28-32,49-51H,5,8,17-21,40H2,1H3,(H2,41,52)(H,42,54)(H,43,53)(H,44,55)(H,45,47)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081936 (CHEMBL263584 | H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{5-[(...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)c1noc(n1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C62H94N18O12S/c1-36(2)33-44(74-53(84)39(64)27-32-93-3)51(83)52-77-59(92-78-52)46(35-38-17-8-5-9-18-38)76-56(87)45(34-37-15-6-4-7-16-37)75-55(86)41(23-25-49(66)81)71-54(85)42(24-26-50(67)82)72-57(88)48-22-14-31-80(48)61(91)43(20-10-11-28-63)73-58(89)47-21-13-30-79(47)60(90)40(65)19-12-29-70-62(68)69/h4-9,15-18,36,39-48H,10-14,19-35,63-65H2,1-3H3,(H2,66,81)(H2,67,82)(H,71,85)(H,72,88)(H,73,89)(H,74,84)(H,75,86)(H,76,87)(H4,68,69,70)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081935 ((alpha)-H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1noc(n1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C63H96N18O12S/c1-37(2)33-45(75-54(85)40(65)27-32-94-3)50(82)36-53-78-60(93-79-53)47(35-39-17-8-5-9-18-39)77-57(88)46(34-38-15-6-4-7-16-38)76-56(87)42(23-25-51(67)83)72-55(86)43(24-26-52(68)84)73-58(89)49-22-14-31-81(49)62(92)44(20-10-11-28-64)74-59(90)48-21-13-30-80(48)61(91)41(66)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-66H2,1-3H3,(H2,67,83)(H2,68,84)(H,72,86)(H,73,89)(H,74,90)(H,75,85)(H,76,87)(H,77,88)(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	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
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081933 (CHEMBL138013 | {(S)-1-[3-(2-Hydroxy-ethyl)-[1,2,4]...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nc(CCO)no1 Show InChI InChI=1S/C17H23N3O4/c1-17(2,3)23-16(22)18-13(11-12-7-5-4-6-8-12)15-19-14(9-10-21)20-24-15/h4-8,13,21H,9-11H2,1-3H3,(H,18,22)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081926 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1 Show InChI InChI=1S/C39H48N10O8/c1-22(42-36(55)28(40)18-24-9-13-26(51)14-10-24)35(54)43-29(19-23-6-3-2-4-7-23)34-46-39(48-47-34)45-30(20-25-11-15-27(52)16-12-25)38(57)49-17-5-8-32(49)37(56)44-31(21-50)33(41)53/h2-4,6-7,9-16,22,28-32,50-52H,5,8,17-21,40H2,1H3,(H2,41,53)(H,42,55)(H,43,54)(H,44,56)(H2,45,46,47,48)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081932 (CHEMBL410170 | H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{5-[(...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C62H95N19O11S/c1-36(2)33-44(74-54(85)39(64)27-32-93-3)51(84)53-77-52(78-79-53)45(34-37-15-6-4-7-16-37)75-57(88)46(35-38-17-8-5-9-18-38)76-56(87)41(23-25-49(66)82)71-55(86)42(24-26-50(67)83)72-58(89)48-22-14-31-81(48)61(92)43(20-10-11-28-63)73-59(90)47-21-13-30-80(47)60(91)40(65)19-12-29-70-62(68)69/h4-9,15-18,36,39-48H,10-14,19-35,63-65H2,1-3H3,(H2,66,82)(H2,67,83)(H,71,86)(H,72,89)(H,73,90)(H,74,85)(H,75,88)(H,76,87)(H4,68,69,70)(H,77,78,79)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081930 (CHEMBL268138 | H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{5-[(...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C62H94N18O12S/c1-36(2)33-44(74-52(84)39(64)27-32-93-3)51(83)59-78-77-58(92-59)46(35-38-17-8-5-9-18-38)76-55(87)45(34-37-15-6-4-7-16-37)75-54(86)41(23-25-49(66)81)71-53(85)42(24-26-50(67)82)72-56(88)48-22-14-31-80(48)61(91)43(20-10-11-28-63)73-57(89)47-21-13-30-79(47)60(90)40(65)19-12-29-70-62(68)69/h4-9,15-18,36,39-48H,10-14,19-35,63-65H2,1-3H3,(H2,66,81)(H2,67,82)(H,71,85)(H,72,88)(H,73,89)(H,74,84)(H,75,86)(H,76,87)(H4,68,69,70)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081929 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)[nH]1 Show InChI InChI=1S/C40H50N10O8/c1-23(44-38(56)29(41)18-25-9-13-27(52)14-10-25)37(55)45-30(19-24-6-3-2-4-7-24)36-47-34(48-49-36)21-43-31(20-26-11-15-28(53)16-12-26)40(58)50-17-5-8-33(50)39(57)46-32(22-51)35(42)54/h2-4,6-7,9-16,23,29-33,43,51-53H,5,8,17-22,41H2,1H3,(H2,42,54)(H,44,56)(H,45,55)(H,46,57)(H,47,48,49)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081928 (CHEMBL136875 | [5-((S)-1-tert-Butoxycarbonylamino-...) Show SMILES CCOC(=O)Cc1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C19H26N4O4/c1-5-26-16(24)12-15-21-17(23-22-15)14(11-13-9-7-6-8-10-13)20-18(25)27-19(2,3)4/h6-10,14H,5,11-12H2,1-4H3,(H,20,25)(H,21,22,23)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081925 ((S)-1-[(S)-2-[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)o1 Show InChI InChI=1S/C39H47N9O9/c1-22(42-35(54)28(40)18-24-9-13-26(50)14-10-24)34(53)43-29(19-23-6-3-2-4-7-23)37-46-47-39(57-37)45-30(20-25-11-15-27(51)16-12-25)38(56)48-17-5-8-32(48)36(55)44-31(21-49)33(41)52/h2-4,6-7,9-16,22,28-32,49-51H,5,8,17-21,40H2,1H3,(H2,41,52)(H,42,54)(H,43,53)(H,44,55)(H,45,47)/t22-,28+,29+,30+,31+,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50059841 ((S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hy...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C40H50N8O10/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081923 ((S)-1-[(S)-2-{[5-((S)-1-{(R)-2-[(S)-2-Amino-3-(4-h...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)c1nc(CN[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)no1 Show InChI InChI=1S/C40H49N9O9/c1-23(44-37(55)29(41)18-25-9-13-27(51)14-10-25)36(54)45-30(19-24-6-3-2-4-7-24)39-47-34(48-58-39)21-43-31(20-26-11-15-28(52)16-12-26)40(57)49-17-5-8-33(49)38(56)46-32(22-50)35(42)53/h2-4,6-7,9-16,23,29-33,43,50-52H,5,8,17-22,41H2,1H3,(H2,42,53)(H,44,55)(H,45,54)(H,46,56)/t23-,29+,30+,31+,32+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50081931 (CHEMBL402884 | H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5...) Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N Show InChI InChI=1S/C63H97N19O11S/c1-37(2)33-45(75-55(86)40(65)27-32-94-3)50(83)36-53-78-54(80-79-53)46(34-38-15-6-4-7-16-38)76-58(89)47(35-39-17-8-5-9-18-39)77-57(88)42(23-25-51(67)84)72-56(87)43(24-26-52(68)85)73-59(90)49-22-14-31-82(49)62(93)44(20-10-11-28-64)74-60(91)48-21-13-30-81(48)61(92)41(66)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-66H2,1-3H3,(H2,67,84)(H2,68,85)(H,72,87)(H,73,90)(H,74,91)(H,75,86)(H,76,89)(H,77,88)(H4,69,70,71)(H,78,79,80)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.				J Med Chem 42: 4331-42 (1999) BindingDB Entry DOI: 10.7270/Q2SJ1MBK
					More data for this Ligand-Target Pair