Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50035693   

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	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50016450 (CHEMBL39503 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,...) Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H30N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8,18,24-25H,3-4,9-13,22H2,1-2H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50016451 (CHEMBL37306 | N-[2-(2-Amino-acetylamino)-ethyl]-2-...) Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)CN)cc1 Show InChI InChI=1S/C23H33N7O5/c1-3-11-29-21-19(22(33)30(12-4-2)23(29)34)27-20(28-21)15-5-7-16(8-6-15)35-14-18(32)26-10-9-25-17(31)13-24/h5-8,20,27-28H,3-4,9-14,24H2,1-2H3,(H,25,31)(H,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50226936 (CHEMBL37351) Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(N)=O)cc1 |c:5| Show InChI InChI=1S/C25H36N8O6/c1-3-11-32-22-20(24(37)33(12-4-2)25(32)38)30-21(31-22)15-5-7-16(8-6-15)39-14-19(35)28-9-10-29-23(36)17(26)13-18(27)34/h5-8,17,20,22H,3-4,9-14,26H2,1-2H3,(H2,27,34)(H,28,35)(H,29,36)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50367270 (CHEMBL606297) Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50367589 (CHEMBL3144091 | CHEMBL611126) 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)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H61N11O10S/c1-28(2)20-34(47(68)58-33(43(50)66)18-19-71-3)57-39(63)24-51-46(67)35(21-29-10-6-4-7-11-29)59-48(69)36(22-30-12-8-5-9-13-30)56-38(62)23-31-14-16-32(17-15-31)55-44-40-45(53-26-52-44)60(27-54-40)49-42(65)41(64)37(25-61)70-49/h4-17,26-28,33-37,41-42,49,61,64-65H,18-25H2,1-3H3,(H2,50,66)(H,51,67)(H,56,62)(H,57,63)(H,58,68)(H,59,69)(H,52,53,55)/t33?,34?,35?,36?,37-,41-,42-,49?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50226935 (CHEMBL3143947) Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)cc1 |r,c:5| Show InChI InChI=1S/C45H57N11O9/c1-3-21-55-40-38(44(63)56(22-4-2)45(55)64)53-39(54-40)30-15-17-31(18-16-30)65-27-37(59)48-19-20-49-41(60)32(46)25-36(58)51-34(24-29-13-9-6-10-14-29)43(62)52-33(42(61)50-26-35(47)57)23-28-11-7-5-8-12-28/h5-18,32-34,38,40H,3-4,19-27,46H2,1-2H3,(H2,47,57)(H,48,59)(H,49,60)(H,50,61)(H,51,58)(H,52,62)(H,53,54)/t32?,33-,34-,38?,40?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50226934 (CHEMBL3143946) Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)cc1 |r,c:5| Show InChI InChI=1S/C56H77N13O11S/c1-6-25-68-50-47(55(78)69(26-7-2)56(68)79)66-49(67-50)37-18-20-38(21-19-37)80-33-46(72)59-23-24-60-51(74)39(57)31-44(70)62-43(30-36-16-12-9-13-17-36)54(77)65-42(29-35-14-10-8-11-15-35)52(75)61-32-45(71)63-41(28-34(3)4)53(76)64-40(48(58)73)22-27-81-5/h8-21,34,39-43,47,50H,6-7,22-33,57H2,1-5H3,(H2,58,73)(H,59,72)(H,60,74)(H,61,75)(H,62,70)(H,63,71)(H,64,76)(H,65,77)(H,66,67)/t39?,40-,41-,42-,43-,47?,50?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50016446 (2-Amino-pentanedioic acid 5-amide 1-[(3-carbamoyl-...) 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)[C@@H](N)CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C41H60N10O9S/c1-24(2)20-30(40(59)48-28(36(45)55)18-19-61-3)47-35(54)23-46-38(57)31(21-25-10-6-4-7-11-25)50-41(60)32(22-26-12-8-5-9-13-26)51-39(58)29(15-17-34(44)53)49-37(56)27(42)14-16-33(43)52/h4-13,24,27-32H,14-23,42H2,1-3H3,(H2,43,52)(H2,44,53)(H2,45,55)(H,46,57)(H,47,54)(H,48,59)(H,49,56)(H,50,60)(H,51,58)/t27-,28+,29-,30-,31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50367267 (CHEMBL605246) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(O)=O)cc3)ncnc12 |r| Show InChI InChI=1S/C18H19N5O6/c24-6-11-14(27)15(28)18(29-11)23-8-21-13-16(19-7-20-17(13)23)22-10-3-1-9(2-4-10)5-12(25)26/h1-4,7-8,11,14-15,18,24,27-28H,5-6H2,(H,25,26)(H,19,20,22)/t11-,14-,15-,18?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50226934 (CHEMBL3143946) Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)cc1 |r,c:5| Show InChI InChI=1S/C56H77N13O11S/c1-6-25-68-50-47(55(78)69(26-7-2)56(68)79)66-49(67-50)37-18-20-38(21-19-37)80-33-46(72)59-23-24-60-51(74)39(57)31-44(70)62-43(30-36-16-12-9-13-17-36)54(77)65-42(29-35-14-10-8-11-15-35)52(75)61-32-45(71)63-41(28-34(3)4)53(76)64-40(48(58)73)22-27-81-5/h8-21,34,39-43,47,50H,6-7,22-33,57H2,1-5H3,(H2,58,73)(H,59,72)(H,60,74)(H,61,75)(H,62,70)(H,63,71)(H,64,76)(H,65,77)(H,66,67)/t39?,40-,41-,42-,43-,47?,50?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50016448 (2-Amino-pentanedioic acid 5-amide 1-({1-[1-({[1-(1...) 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](N)CCC(N)=O)C(N)=O |r| Show InChI InChI=1S/C36H52N8O7S/c1-22(2)18-27(35(50)42-26(32(39)47)16-17-52-3)41-31(46)21-40-34(49)28(19-23-10-6-4-7-11-23)44-36(51)29(20-24-12-8-5-9-13-24)43-33(48)25(37)14-15-30(38)45/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,45)(H2,39,47)(H,40,49)(H,41,46)(H,42,50)(H,43,48)(H,44,51)/t25-,26+,27-,28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50367589 (CHEMBL3144091 | CHEMBL611126) 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)Cc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H61N11O10S/c1-28(2)20-34(47(68)58-33(43(50)66)18-19-71-3)57-39(63)24-51-46(67)35(21-29-10-6-4-7-11-29)59-48(69)36(22-30-12-8-5-9-13-30)56-38(62)23-31-14-16-32(17-15-31)55-44-40-45(53-26-52-44)60(27-54-40)49-42(65)41(64)37(25-61)70-49/h4-17,26-28,33-37,41-42,49,61,64-65H,18-25H2,1-3H3,(H2,50,66)(H,51,67)(H,56,62)(H,57,63)(H,58,68)(H,59,69)(H,52,53,55)/t33?,34?,35?,36?,37-,41-,42-,49?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50367270 (CHEMBL606297) Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50016443 (2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...) Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24+,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50016445 (2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl...) 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(C)=O)C(N)=O |r| Show InChI InChI=1S/C33H46N6O6S/c1-21(2)17-26(32(44)38-25(30(34)42)15-16-46-4)37-29(41)20-35-31(43)27(18-23-11-7-5-8-12-23)39-33(45)28(36-22(3)40)19-24-13-9-6-10-14-24/h5-14,21,25-28H,15-20H2,1-4H3,(H2,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t25-,26+,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50016451 (CHEMBL37306 | N-[2-(2-Amino-acetylamino)-ethyl]-2-...) Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCNC(=O)CN)cc1 Show InChI InChI=1S/C23H33N7O5/c1-3-11-29-21-19(22(33)30(12-4-2)23(29)34)27-20(28-21)15-5-7-16(8-6-15)35-14-18(32)26-10-9-25-17(31)13-24/h5-8,20,27-28H,3-4,9-14,24H2,1-2H3,(H,25,31)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50016450 (CHEMBL39503 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1,...) Show SMILES CCCn1c2NC(Nc2c(=O)n(CCC)c1=O)c1ccc(OCC(=O)NCCN)cc1 Show InChI InChI=1S/C21H30N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8,18,24-25H,3-4,9-13,22H2,1-2H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Substance-P receptor (Rattus norvegicus (rat))	BDBM50226935 (CHEMBL3143947) Show SMILES CCCN1C2N=C(NC2C(=O)N(CCC)C1=O)c1ccc(OCC(=O)NCCNC(=O)C(N)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)cc1 |r,c:5| Show InChI InChI=1S/C45H57N11O9/c1-3-21-55-40-38(44(63)56(22-4-2)45(55)64)53-39(54-40)30-15-17-31(18-16-30)65-27-37(59)48-19-20-49-41(60)32(46)25-36(58)51-34(24-29-13-9-6-10-14-29)43(62)52-33(42(61)50-26-35(47)57)23-28-11-7-5-8-12-28/h5-18,32-34,38,40H,3-4,19-27,46H2,1-2H3,(H2,47,57)(H,48,59)(H,49,60)(H,50,61)(H,51,58)(H,52,62)(H,53,54)/t32?,33-,34-,38?,40?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50016443 (2-{2-[2-(2-Acetylamino-3-phenyl-propionylamino)-3-...) Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C31H44N6O5S/c1-20(2)16-25(31(42)36-24(28(33)39)14-15-43-3)35-27(38)19-34-30(41)26(18-22-12-8-5-9-13-22)37-29(40)23(32)17-21-10-6-4-7-11-21/h4-13,20,23-26H,14-19,32H2,1-3H3,(H2,33,39)(H,34,41)(H,35,38)(H,36,42)(H,37,40)/t23-,24+,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Adenosine receptor A1/A2a/A2b/A3 (Rattus norvegicus (rat))	BDBM50016445 (2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-phenyl...) 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(C)=O)C(N)=O |r| Show InChI InChI=1S/C33H46N6O6S/c1-21(2)17-26(32(44)38-25(30(34)42)15-16-46-4)37-29(41)20-35-31(43)27(18-23-11-7-5-8-12-23)39-33(45)28(36-22(3)40)19-24-13-9-6-10-14-24/h5-14,21,25-28H,15-20H2,1-4H3,(H2,34,42)(H,35,43)(H,36,40)(H,37,41)(H,38,44)(H,39,45)/t25-,26+,27+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair