Compile Data Set for Download or QSAR

Found 422 hits with Last Name = 'rumsey' and Initial = 'w'   

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
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091753 (CHEMBL405854 | H-Ser-Leu-Arg-Arg-Ser-Ser-cyclic(Cy...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89+,90+,99-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091751 (CHEMBL411542 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C70H114N24O22S2/c1-8-35(5)55-66(113)83-28-50(98)84-37(7)57(104)88-42(19-20-48(72)96)62(109)92-46(31-95)61(108)82-29-52(100)86-43(23-34(3)4)59(106)81-30-53(101)87-47(68(115)116)33-118-117-32-39(71)58(105)90-44(24-38-15-11-10-12-16-38)60(107)80-26-49(97)79-27-51(99)85-40(17-13-21-77-69(73)74)63(110)94-56(36(6)9-2)67(114)91-45(25-54(102)103)65(112)89-41(64(111)93-55)18-14-22-78-70(75)76/h10-12,15-16,34-37,39-47,55-56,95H,8-9,13-14,17-33,71H2,1-7H3,(H2,72,96)(H,79,97)(H,80,107)(H,81,106)(H,82,108)(H,83,113)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,112)(H,90,105)(H,91,114)(H,92,109)(H,93,111)(H,94,110)(H,102,103)(H,115,116)(H4,73,74,77)(H4,75,76,78)/t35-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,55-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091751 (CHEMBL411542 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C70H114N24O22S2/c1-8-35(5)55-66(113)83-28-50(98)84-37(7)57(104)88-42(19-20-48(72)96)62(109)92-46(31-95)61(108)82-29-52(100)86-43(23-34(3)4)59(106)81-30-53(101)87-47(68(115)116)33-118-117-32-39(71)58(105)90-44(24-38-15-11-10-12-16-38)60(107)80-26-49(97)79-27-51(99)85-40(17-13-21-77-69(73)74)63(110)94-56(36(6)9-2)67(114)91-45(25-54(102)103)65(112)89-41(64(111)93-55)18-14-22-78-70(75)76/h10-12,15-16,34-37,39-47,55-56,95H,8-9,13-14,17-33,71H2,1-7H3,(H2,72,96)(H,79,97)(H,80,107)(H,81,106)(H,82,108)(H,83,113)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,112)(H,90,105)(H,91,114)(H,92,109)(H,93,111)(H,94,110)(H,102,103)(H,115,116)(H4,73,74,77)(H4,75,76,78)/t35-,36-,37-,39+,40-,41-,42-,43-,44-,45-,46-,47+,55-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50105595 ((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 298: 307-15 (2001) BindingDB Entry DOI: 10.7270/Q2H130JX
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]SP to Tachykinin receptor 1 of human tachykinin receptor expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091758 ((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...) Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50175494 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 1 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091758 ((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...) Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-40(58)33(13-10-20-46-43(44)45)50-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-38(56)27(5)48-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,58)(H,48,53)(H,49,57)(H,50,59)(H,51,60)(H,52,56)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091752 ((S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphth...) Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-40(58)33(13-10-20-46-43(44)45)50-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,56)(H,48,59)(H,49,57)(H,50,53)(H,51,60)(H,52,58)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091752 ((S)-3-{(2S,3S)-2-[(S)-5-Guanidino-2-(2-{4-[(naphth...) Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C43H59N9O8/c1-6-25(3)24-47-38(56)27(5)48-41(59)34(23-36(54)55)51-42(60)37(26(4)7-2)52-40(58)33(13-10-20-46-43(44)45)50-35(53)21-28-14-18-32(19-15-28)49-39(57)31-17-16-29-11-8-9-12-30(29)22-31/h8-9,11-12,14-19,22,25-27,33-34,37H,6-7,10,13,20-21,23-24H2,1-5H3,(H,47,56)(H,48,59)(H,49,57)(H,50,53)(H,51,60)(H,52,58)(H,54,55)(H4,44,45,46)/t25-,26-,27-,33-,34-,37-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091761 ((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...) Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091757 (CHEMBL264744 | Cyclic-(Cys-Phe-Gly-Gly-Ala-Ile-Asp...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C67H107N21O22S2/c1-9-33(5)53-64(107)77-26-49(93)78-35(7)55(98)82-40(18-19-46(69)90)61(104)86-44(29-89)60(103)76-27-50(94)80-41(21-32(3)4)58(101)75-28-51(95)81-45(66(109)110)31-112-111-30-38(68)57(100)84-42(22-37-15-12-11-13-16-37)59(102)74-24-47(91)73-25-48(92)79-36(8)56(99)87-54(34(6)10-2)65(108)85-43(23-52(96)97)63(106)83-39(62(105)88-53)17-14-20-72-67(70)71/h11-13,15-16,32-36,38-45,53-54,89H,9-10,14,17-31,68H2,1-8H3,(H2,69,90)(H,73,91)(H,74,102)(H,75,101)(H,76,103)(H,77,107)(H,78,93)(H,79,92)(H,80,94)(H,81,95)(H,82,98)(H,83,106)(H,84,100)(H,85,108)(H,86,104)(H,87,99)(H,88,105)(H,96,97)(H,109,110)(H4,70,71,72)/t33-,34-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091757 (CHEMBL264744 | Cyclic-(Cys-Phe-Gly-Gly-Ala-Ile-Asp...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C67H107N21O22S2/c1-9-33(5)53-64(107)77-26-49(93)78-35(7)55(98)82-40(18-19-46(69)90)61(104)86-44(29-89)60(103)76-27-50(94)80-41(21-32(3)4)58(101)75-28-51(95)81-45(66(109)110)31-112-111-30-38(68)57(100)84-42(22-37-15-12-11-13-16-37)59(102)74-24-47(91)73-25-48(92)79-36(8)56(99)87-54(34(6)10-2)65(108)85-43(23-52(96)97)63(106)83-39(62(105)88-53)17-14-20-72-67(70)71/h11-13,15-16,32-36,38-45,53-54,89H,9-10,14,17-31,68H2,1-8H3,(H2,69,90)(H,73,91)(H,74,102)(H,75,101)(H,76,103)(H,77,107)(H,78,93)(H,79,92)(H,80,94)(H,81,95)(H,82,98)(H,83,106)(H,84,100)(H,85,108)(H,86,104)(H,87,99)(H,88,105)(H,96,97)(H,109,110)(H4,70,71,72)/t33-,34-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50105595 ((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by PDSP Ki Database									J Pharmacol Exp Ther 298: 307-15 (2001) BindingDB Entry DOI: 10.7270/Q2H130JX
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091753 (CHEMBL405854 | H-Ser-Leu-Arg-Arg-Ser-Ser-cyclic(Cy...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO Show InChI InChI=1S/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,87-,88-,89+,90+,99-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50409575 (CHEMBL339767 | ZD-7944) Show SMILES CCN1[C@H]([C@@H](CCN2CCC(CC2)c2ccccc2[S@](C)=O)c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O Show InChI InChI=1S/C31H34Cl2N2O2S/c1-3-35-30(25-9-4-5-10-26(25)31(35)36)24(22-12-13-27(32)28(33)20-22)16-19-34-17-14-21(15-18-34)23-8-6-7-11-29(23)38(2)37/h4-13,20-21,24,30H,3,14-19H2,1-2H3/t24-,30+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50175494 (1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 2 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091754 (Arg-Ser-Ser-cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp-Ar...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC Show InChI InChI=1S/C64H106N24O20S2/c1-6-31(3)48-59(105)77-26-45(92)78-33(5)50(96)86-43(61(107)108)30-110-109-29-42(85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67)58(104)81-38(22-34-14-9-8-10-15-34)52(98)76-24-44(91)75-25-46(93)79-36(17-12-20-73-63(68)69)53(99)88-49(32(4)7-2)60(106)82-39(23-47(94)95)55(101)80-37(54(100)87-48)18-13-21-74-64(70)71/h8-10,14-15,31-33,35-43,48-49,89-90H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42+,43+,48-,49-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 1 was determined by using [3H]-SP as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091761 ((S)-N-[(S)-4-Guanidino-1-((S)-2-methyl-butylcarbam...) Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C46H66N12O8/c1-5-27(3)26-53-41(63)34(13-9-21-51-45(47)48)56-43(65)36(25-38(60)61)57-44(66)39(28(4)6-2)58-42(64)35(14-10-22-52-46(49)50)55-37(59)23-29-15-19-33(20-16-29)54-40(62)32-18-17-30-11-7-8-12-31(30)24-32/h7-8,11-12,15-20,24,27-28,34-36,39H,5-6,9-10,13-14,21-23,25-26H2,1-4H3,(H,53,63)(H,54,62)(H,55,59)(H,56,65)(H,57,66)(H,58,64)(H,60,61)(H4,47,48,51)(H4,49,50,52)/t27-,28-,34-,35-,36-,39-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091754 (Arg-Ser-Ser-cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Asp-Ar...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC Show InChI InChI=1S/C64H106N24O20S2/c1-6-31(3)48-59(105)77-26-45(92)78-33(5)50(96)86-43(61(107)108)30-110-109-29-42(85-57(103)41(28-90)84-56(102)40(27-89)83-51(97)35(65)16-11-19-72-62(66)67)58(104)81-38(22-34-14-9-8-10-15-34)52(98)76-24-44(91)75-25-46(93)79-36(17-12-20-73-63(68)69)53(99)88-49(32(4)7-2)60(106)82-39(23-47(94)95)55(101)80-37(54(100)87-48)18-13-21-74-64(70)71/h8-10,14-15,31-33,35-43,48-49,89-90H,6-7,11-13,16-30,65H2,1-5H3,(H,75,91)(H,76,98)(H,77,105)(H,78,92)(H,79,93)(H,80,101)(H,81,104)(H,82,106)(H,83,97)(H,84,102)(H,85,103)(H,86,96)(H,87,100)(H,88,99)(H,94,95)(H,107,108)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42+,43+,48-,49-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 2 was determined by using [125I]-NKA as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118099 (1'-[4-[(3-Cyano-2-methoxy-naphthalene-1-carbonyl)-...) Show SMILES CNC(=O)C1(CCN(CC[C@H](CN(C)C(=O)c2c(OC)c(cc3ccccc23)C#N)c2ccc(Cl)c(Cl)c2)CC1)N1CCCCC1=O Show InChI InChI=1S/C36H41Cl2N5O4/c1-40-35(46)36(43-16-7-6-10-31(43)44)14-18-42(19-15-36)17-13-26(24-11-12-29(37)30(38)21-24)23-41(2)34(45)32-28-9-5-4-8-25(28)20-27(22-39)33(32)47-3/h4-5,8-9,11-12,20-21,26H,6-7,10,13-19,23H2,1-3H3,(H,40,46)/t26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50118098 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES COc1ccc(C2CCN(CC[C@H](CN(C)C(=O)c3cc(cc4ccccc34)C#N)c3ccc(Cl)c(Cl)c3)CC2)c(c1)[S@](C)=O Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)32-19-24(22-39)18-27-6-4-5-7-30(27)32)23-28(26-8-11-33(37)34(38)20-26)14-17-41-15-12-25(13-16-41)31-10-9-29(44-2)21-35(31)45(3)43/h4-11,18-21,25,28H,12-17,23H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091759 (CHEMBL59028 | Naphthalene-2-carboxylic acid (4-{[(...) Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C45H66N12O6/c1-6-27(3)26-52-41(61)35(14-10-22-50-44(46)47)56-39(59)29(5)53-43(63)38(28(4)7-2)57-42(62)36(15-11-23-51-45(48)49)55-37(58)24-30-16-20-34(21-17-30)54-40(60)33-19-18-31-12-8-9-13-32(31)25-33/h8-9,12-13,16-21,25,27-29,35-36,38H,6-7,10-11,14-15,22-24,26H2,1-5H3,(H,52,61)(H,53,63)(H,54,60)(H,55,58)(H,56,59)(H,57,62)(H4,46,47,50)(H4,48,49,51)/t27-,28-,29-,35-,36-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091759 (CHEMBL59028 | Naphthalene-2-carboxylic acid (4-{[(...) Show SMILES CC[C@H](C)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C45H66N12O6/c1-6-27(3)26-52-41(61)35(14-10-22-50-44(46)47)56-39(59)29(5)53-43(63)38(28(4)7-2)57-42(62)36(15-11-23-51-45(48)49)55-37(58)24-30-16-20-34(21-17-30)54-40(60)33-19-18-31-12-8-9-13-32(31)25-33/h8-9,12-13,16-21,25,27-29,35-36,38H,6-7,10-11,14-15,22-24,26H2,1-5H3,(H,52,61)(H,53,63)(H,54,60)(H,55,58)(H,56,59)(H,57,62)(H4,46,47,50)(H4,48,49,51)/t27-,28-,29-,35-,36-,38-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091747 ((S)-N-[(S)-1-((S)-2-Methyl-butylcarbamoyl)-ethyl]-...) Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C40H52N6O8/c1-7-23(3)22-41-36(50)25(5)43-39(53)32(21-34(48)49)45-40(54)35(24(4)8-2)46-37(51)26(6)42-33(47)19-27-13-17-31(18-14-27)44-38(52)30-16-15-28-11-9-10-12-29(28)20-30/h9-18,20,23-26,32,35H,7-8,19,21-22H2,1-6H3,(H,41,50)(H,42,47)(H,43,53)(H,44,52)(H,45,54)(H,46,51)(H,48,49)/t23-,24-,25-,26-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091747 ((S)-N-[(S)-1-((S)-2-Methyl-butylcarbamoyl)-ethyl]-...) Show SMILES CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC Show InChI InChI=1S/C40H52N6O8/c1-7-23(3)22-41-36(50)25(5)43-39(53)32(21-34(48)49)45-40(54)35(24(4)8-2)46-37(51)26(6)42-33(47)19-27-13-17-31(18-14-27)44-38(52)30-16-15-28-11-9-10-12-29(28)20-30/h9-18,20,23-26,32,35H,7-8,19,21-22H2,1-6H3,(H,41,50)(H,42,47)(H,43,53)(H,44,52)(H,45,54)(H,46,51)(H,48,49)/t23-,24-,25-,26-,32-,35-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50118100 (3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((...) Show SMILES COc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C36H37Cl2N3O3S/c1-40(36(42)34-30-10-5-4-8-26(30)20-28(22-39)35(34)44-2)23-27(25-12-13-31(37)32(38)21-25)16-19-41-17-14-24(15-18-41)29-9-6-7-11-33(29)45(3)43/h4-13,20-21,24,27H,14-19,23H2,1-3H3/t27-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [3H]NKA to human Tachykinin receptor 2 (NK2) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Binding affinity against human cloned Tachykinin receptor 3 expressed in MEL cells				Bioorg Med Chem Lett 11: 2769-73 (2001) BindingDB Entry DOI: 10.7270/Q2SJ1M4W
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50279775 ((S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-...) Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description Inhibition of binding of [125I]MPNI to human Tachykinin receptor 3 (NK3) expressed in mouse erythroleukemia cells				J Med Chem 45: 3972-83 (2002) BindingDB Entry DOI: 10.7270/Q2862H6T
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 1 (Homo sapiens (Human))	BDBM50091750 (CHEMBL415133 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Ala...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C69H114N24O20S2/c1-9-35(5)54-65(110)82-28-50(97)83-37(7)56(101)89-43(20-21-48(71)95)62(107)91-46(31-94)61(106)81-29-52(99)86-44(24-34(3)4)59(104)80-30-53(100)87-47(67(112)113)33-115-114-32-40(70)58(103)90-45(25-39-16-12-11-13-17-39)60(105)79-26-49(96)78-27-51(98)85-41(18-14-22-76-68(72)73)63(108)93-55(36(6)10-2)66(111)84-38(8)57(102)88-42(64(109)92-54)19-15-23-77-69(74)75/h11-13,16-17,34-38,40-47,54-55,94H,9-10,14-15,18-33,70H2,1-8H3,(H2,71,95)(H,78,96)(H,79,105)(H,80,104)(H,81,106)(H,82,110)(H,83,97)(H,84,111)(H,85,98)(H,86,99)(H,87,100)(H,88,102)(H,89,101)(H,90,103)(H,91,107)(H,92,109)(H,93,108)(H,112,113)(H4,72,73,76)(H4,74,75,77)/t35-,36-,37-,38-,40+,41-,42-,43-,44-,45-,46-,47+,54-,55-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial natriuretic peptide receptor A.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Atrial natriuretic peptide receptor 3 (Homo sapiens (Human))	BDBM50091750 (CHEMBL415133 | Cyclic-(Cys-Phe-Gly-Gly-Arg-Ile-Ala...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(O)=O)[C@@H](C)CC Show InChI InChI=1S/C69H114N24O20S2/c1-9-35(5)54-65(110)82-28-50(97)83-37(7)56(101)89-43(20-21-48(71)95)62(107)91-46(31-94)61(106)81-29-52(99)86-44(24-34(3)4)59(104)80-30-53(100)87-47(67(112)113)33-115-114-32-40(70)58(103)90-45(25-39-16-12-11-13-17-39)60(105)79-26-49(96)78-27-51(98)85-41(18-14-22-76-68(72)73)63(108)93-55(36(6)10-2)66(111)84-38(8)57(102)88-42(64(109)92-54)19-15-23-77-69(74)75/h11-13,16-17,34-38,40-47,54-55,94H,9-10,14-15,18-33,70H2,1-8H3,(H2,71,95)(H,78,96)(H,79,105)(H,80,104)(H,81,106)(H,82,110)(H,83,97)(H,84,111)(H,85,98)(H,86,99)(H,87,100)(H,88,102)(H,89,101)(H,90,103)(H,91,107)(H,92,109)(H,93,108)(H,112,113)(H4,72,73,76)(H4,74,75,77)/t35-,36-,37-,38-,40+,41-,42-,43-,44-,45-,46-,47+,54-,55-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]- ANP from the Atrial Natriuretic Peptide Clearance Receptor.				Bioorg Med Chem Lett 10: 1949-52 (2001) BindingDB Entry DOI: 10.7270/Q2BK1BKQ
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50138823 (3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)...) Show SMILES CCc1c(cc2ccccc2c1C(=O)N(C)C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals LP Curated by ChEMBL					Assay Description In vitro binding affinity towards human Tachykinin receptor 3 was determined by using [125I]-MePhe-NKB as a radioligand				J Med Chem 47: 519-29 (2004) Article DOI: 10.1021/jm030197g BindingDB Entry DOI: 10.7270/Q2FJ2G6D
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 422 total )  |  Next  |  Last  >>

Jump to: