Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'spellmeyer' and Initial = 'dc'   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM69602 (2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...) Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1 Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039664 (CHEMBL91890 | N-Biphenyl-4-yl-N-[(carbamoylmethyl-...) Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H36N4O3/c35-32(39)25-37(23-21-28-12-6-2-7-13-28)34(41)26-38(33(40)24-36-22-20-27-10-4-1-5-11-27)31-18-16-30(17-19-31)29-14-8-3-9-15-29/h1-19,36H,20-26H2,(H2,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50472725 (CHEMBL90588 | CHIR-2279) Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C34H36N4O4/c35-32(40)24-37(22-20-26-7-3-1-4-8-26)34(42)25-38(30-15-13-29(14-16-30)28-9-5-2-6-10-28)33(41)23-36-21-19-27-11-17-31(39)18-12-27/h1-18,36,39H,19-25H2,(H2,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039665 (CHEMBL90649 | CHIR-4531 | N-Benzo[1,3]dioxol-5-ylm...) Show SMILES NC(=O)CN(CCc1ccc(O)cc1)C(=O)CN(Cc1ccc2OCOc2c1)C(=O)CNCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C36H38N4O6/c37-34(42)23-39(18-17-26-11-14-30(41)15-12-26)36(44)24-40(22-27-13-16-32-33(19-27)46-25-45-32)35(43)21-38-20-31(28-7-3-1-4-8-28)29-9-5-2-6-10-29/h1-16,19,31,38,41H,17-18,20-25H2,(H2,37,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50019056 ((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039661 (CHEMBL327549 | CHIR-4537 | N-({Carbamoylmethyl-[2-...) Show SMILES COc1ccc(CN(CC(=O)N(CCc2ccc(O)cc2)CC(N)=O)C(=O)CNCC(c2ccccc2)c2ccccc2)cc1OC Show InChI InChI=1S/C37H42N4O6/c1-46-33-18-15-28(21-34(33)47-2)24-41(26-37(45)40(25-35(38)43)20-19-27-13-16-31(42)17-14-27)36(44)23-39-22-32(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-18,21,32,39,42H,19-20,22-26H2,1-2H3,(H2,38,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50039663 (CHEMBL89378 | CHIR-4534 | N-({Carbamoylmethyl-[2-(...) Show SMILES CCCCCN(CC(=O)N(CCc1ccc(O)cc1)CC(N)=O)C(=O)CNCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H42N4O4/c1-2-3-10-20-36(25-33(41)37(24-31(34)39)21-19-26-15-17-29(38)18-16-26)32(40)23-35-22-30(27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-18,30,35,38H,2-3,10,19-25H2,1H3,(H2,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from rat brain membrane using [3H]DAMGO				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50472726 (CHEMBL92380 | CHIR-2283) Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C34H36N4O5/c35-32(40)24-37(22-20-26-7-3-1-4-8-26)34(42)25-38(33(41)23-36-21-19-27-11-15-29(39)16-12-27)28-13-17-31(18-14-28)43-30-9-5-2-6-10-30/h1-18,36,39H,19-25H2,(H2,35,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50472727 (CHEMBL92379 | CHIR-2276) Show SMILES NC(=O)CN(C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C38H36N4O4/c39-36(44)26-41(33-17-13-31(14-18-33)29-7-3-1-4-8-29)38(46)27-42(34-19-15-32(16-20-34)30-9-5-2-6-10-30)37(45)25-40-24-23-28-11-21-35(43)22-12-28/h1-22,40,43H,23-27H2,(H2,39,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CombiChem, Inc. Curated by ChEMBL					Assay Description Evaluated for binding affinity against alpha-1 adrenergic receptor				J Med Chem 43: 2770-4 (2000) Article DOI: 10.1021/jm990578n BindingDB Entry DOI: 10.7270/Q23R0WMZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50029050 ((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...) Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50029051 ((-)-arterenol | (-)-noradrenaline | (-)-norepineph...) Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281579 ((S)-3-{2-[((R)-2-Acetylamino-3-phenyl-propionyl)-b...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C47H59N7O10/c1-6-28(3)41(44(60)51-38(47(63)64)23-33-25-48-35-21-15-14-20-34(33)35)53-45(61)42(29(4)7-2)52-43(59)36(24-40(57)58)50-39(56)27-54(26-32-18-12-9-13-19-32)46(62)37(49-30(5)55)22-31-16-10-8-11-17-31/h8-21,25,28-29,36-38,41-42,48H,6-7,22-24,26-27H2,1-5H3,(H,49,55)(H,50,56)(H,51,60)(H,52,59)(H,53,61)(H,57,58)(H,63,64)/t28-,29-,36+,37-,38+,41+,42+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50281586 ((R)-3-{[(R)-1-((R)-2-Acetylamino-3-phenyl-propiony...) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H57N7O10/c1-6-24(3)36(40(56)47-33(43(59)60)21-28-23-44-30-17-12-11-16-29(28)30)49-41(57)37(25(4)7-2)48-38(54)31(22-35(52)53)46-39(55)34-18-13-19-50(34)42(58)32(45-26(5)51)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,44H,6-7,13,18-22H2,1-5H3,(H,45,51)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,52,53)(H,59,60)/t24-,25-,31+,32+,33+,34+,36+,37+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The inhibitory constant of the compound was evaluated against Endothelin A receptor				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281576 ((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(1H-indol-3-yl)-...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C45H61N9O10/c1-6-24(3)38(43(61)52-36(45(63)64)20-28-23-48-32-16-11-9-14-30(28)32)54-44(62)39(25(4)7-2)53-42(60)35(21-37(56)57)51-40(58)33(17-12-18-46)50-41(59)34(49-26(5)55)19-27-22-47-31-15-10-8-13-29(27)31/h8-11,13-16,22-25,33-36,38-39,47-48H,6-7,12,17-21,46H2,1-5H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t24-,25-,33+,34-,35+,36+,38+,39+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281577 ((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(4-hydroxy-pheny...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O11/c1-6-23(3)36(41(59)49-34(43(61)62)20-27-22-45-30-12-9-8-11-29(27)30)51-42(60)37(24(4)7-2)50-40(58)33(21-35(54)55)48-38(56)31(13-10-18-44)47-39(57)32(46-25(5)52)19-26-14-16-28(53)17-15-26/h8-9,11-12,14-17,22-24,31-34,36-37,45,53H,6-7,10,13,18-21,44H2,1-5H3,(H,46,52)(H,47,57)(H,48,56)(H,49,59)(H,50,58)(H,51,60)(H,54,55)(H,61,62)/t23-,24-,31+,32-,33+,34+,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50281579 ((S)-3-{2-[((R)-2-Acetylamino-3-phenyl-propionyl)-b...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C47H59N7O10/c1-6-28(3)41(44(60)51-38(47(63)64)23-33-25-48-35-21-15-14-20-34(33)35)53-45(61)42(29(4)7-2)52-43(59)36(24-40(57)58)50-39(56)27-54(26-32-18-12-9-13-19-32)46(62)37(49-30(5)55)22-31-16-10-8-11-17-31/h8-21,25,28-29,36-38,41-42,48H,6-7,22-24,26-27H2,1-5H3,(H,49,55)(H,50,56)(H,51,60)(H,52,59)(H,53,61)(H,57,58)(H,63,64)/t28-,29-,36+,37-,38+,41+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The inhibitory constant of the compound was evaluated against Endothelin A receptor				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281586 ((R)-3-{[(R)-1-((R)-2-Acetylamino-3-phenyl-propiony...) Show SMILES CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H57N7O10/c1-6-24(3)36(40(56)47-33(43(59)60)21-28-23-44-30-17-12-11-16-29(28)30)49-41(57)37(25(4)7-2)48-38(54)31(22-35(52)53)46-39(55)34-18-13-19-50(34)42(58)32(45-26(5)51)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,44H,6-7,13,18-22H2,1-5H3,(H,45,51)(H,46,55)(H,47,56)(H,48,54)(H,49,57)(H,52,53)(H,59,60)/t24-,25-,31+,32+,33+,34+,36+,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281580 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C41H55N7O10/c1-7-22(3)34(39(55)46-32(41(57)58)19-27-21-42-29-17-13-12-16-28(27)29)48-40(56)35(23(4)8-2)47-38(54)31(20-33(50)51)45-36(52)24(5)43-37(53)30(44-25(6)49)18-26-14-10-9-11-15-26/h9-17,21-24,30-32,34-35,42H,7-8,18-20H2,1-6H3,(H,43,53)(H,44,49)(H,45,52)(H,46,55)(H,47,54)(H,48,56)(H,50,51)(H,57,58)/t22-,23-,24+,30-,31+,32+,34+,35+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281581 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C48H61N7O10/c1-6-28(3)41(46(62)53-39(48(64)65)25-33-27-49-35-21-15-14-20-34(33)35)55-47(63)42(29(4)7-2)54-45(61)38(26-40(57)58)52-43(59)36(23-22-31-16-10-8-11-17-31)51-44(60)37(50-30(5)56)24-32-18-12-9-13-19-32/h8-21,27-29,36-39,41-42,49H,6-7,22-26H2,1-5H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t28-,29-,36+,37-,38+,39+,41+,42+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281582 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C42H56N8O11/c1-6-22(3)35(40(58)48-32(42(60)61)18-26-21-44-28-16-12-11-15-27(26)28)50-41(59)36(23(4)7-2)49-39(57)31(20-34(53)54)47-38(56)30(19-33(43)52)46-37(55)29(45-24(5)51)17-25-13-9-8-10-14-25/h8-16,21-23,29-32,35-36,44H,6-7,17-20H2,1-5H3,(H2,43,52)(H,45,51)(H,46,55)(H,47,56)(H,48,58)(H,49,57)(H,50,59)(H,53,54)(H,60,61)/t22-,23-,29-,30+,31+,32+,35+,36+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281575 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C47H59N7O11/c1-6-26(3)40(45(62)52-38(47(64)65)23-31-25-48-34-16-12-11-15-33(31)34)54-46(63)41(27(4)7-2)53-44(61)37(24-39(57)58)51-43(60)36(22-30-17-19-32(56)20-18-30)50-42(59)35(49-28(5)55)21-29-13-9-8-10-14-29/h8-20,25-27,35-38,40-41,48,56H,6-7,21-24H2,1-5H3,(H,49,55)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,54,63)(H,57,58)(H,64,65)/t26-,27-,35-,36+,37+,38+,40+,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281585 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H60N8O10/c1-6-27(3)42(47(64)55-40(49(66)67)23-32-26-51-36-20-14-12-18-34(32)36)57-48(65)43(28(4)7-2)56-46(63)39(24-41(59)60)54-45(62)38(22-31-25-50-35-19-13-11-17-33(31)35)53-44(61)37(52-29(5)58)21-30-15-9-8-10-16-30/h8-20,25-28,37-40,42-43,50-51H,6-7,21-24H2,1-5H3,(H,52,58)(H,53,61)(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t27-,28-,37-,38+,39+,40+,42+,43+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281587 ((S)-3-[(R)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35-,36-,37+,38+,40+,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281583 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C47H60N8O10/c1-4-28(2)41(46(63)54-39(47(64)65)25-32-27-49-34-19-12-11-18-33(32)34)55-43(60)36(22-21-30-14-7-5-8-15-30)52-45(62)38(26-40(57)58)53-42(59)35(20-13-23-48)51-44(61)37(50-29(3)56)24-31-16-9-6-10-17-31/h5-12,14-19,27-28,35-39,41,49H,4,13,20-26,48H2,1-3H3,(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,63)(H,55,60)(H,57,58)(H,64,65)/t28-,35+,36+,37-,38+,39+,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50281576 ((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(1H-indol-3-yl)-...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C45H61N9O10/c1-6-24(3)38(43(61)52-36(45(63)64)20-28-23-48-32-16-11-9-14-30(28)32)54-44(62)39(25(4)7-2)53-42(60)35(21-37(56)57)51-40(58)33(17-12-18-46)50-41(59)34(49-26(5)55)19-27-22-47-31-15-10-8-13-29(27)31/h8-11,13-16,22-25,33-36,38-39,47-48H,6-7,12,17-21,46H2,1-5H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t24-,25-,33+,34-,35+,36+,38+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The inhibitory constant of the compound was evaluated against Endothelin A receptor in rabbit renal artery tissue				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281910 ((S)-3-[(S)-5-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-46-31-18-12-11-16-29(28)31)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)30(44)17-13-19-45-39(56)32(47-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-16,18,23-25,30,32-34,36-37,46H,6-7,13,17,19-22,44H2,1-5H3,(H,45,56)(H,47,52)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,30-,32-,33-,34-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound for Endothelin A receptor was determined in murine 3T3 cells				Bioorg Med Chem Lett 3: 1253-1256 (1993) Article DOI: 10.1016/S0960-894X(00)80326-1 BindingDB Entry DOI: 10.7270/Q2ZC82S8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281584 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31+,32-,33+,34+,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the binding affinity against eEndothelin A receptor in murine 3T3 cells using [125I]-ET-1 as a radioligand				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281911 ((R)-3-[(R)-5-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)CCCNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-46-31-18-12-11-16-29(28)31)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)30(44)17-13-19-45-39(56)32(47-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-16,18,23-25,30,32-34,36-37,46H,6-7,13,17,19-22,44H2,1-5H3,(H,45,56)(H,47,52)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,30+,32-,33+,34-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound for Endothelin A receptor was determined in murine 3T3 cells				Bioorg Med Chem Lett 3: 1253-1256 (1993) Article DOI: 10.1016/S0960-894X(00)80326-1 BindingDB Entry DOI: 10.7270/Q2ZC82S8
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281578 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35-,36+,37+,38+,40+,41+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to Endothelin A receptor of murine 3T3 cells				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50281577 ((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(4-hydroxy-pheny...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O11/c1-6-23(3)36(41(59)49-34(43(61)62)20-27-22-45-30-12-9-8-11-29(27)30)51-42(60)37(24(4)7-2)50-40(58)33(21-35(54)55)48-38(56)31(13-10-18-44)47-39(57)32(46-25(5)52)19-26-14-16-28(53)17-15-26/h8-9,11-12,14-17,22-24,31-34,36-37,45,53H,6-7,10,13,18-21,44H2,1-5H3,(H,46,52)(H,47,57)(H,48,56)(H,49,59)(H,50,58)(H,51,60)(H,54,55)(H,61,62)/t23-,24-,31+,32-,33+,34+,36+,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The inhibitory constant of the compound was evaluated against Endothelin A receptor				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50281584 ((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31+,32-,33+,34+,36+,37+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	<800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The inhibitory constant was evaluated against Endothelin A receptor				Bioorg Med Chem Lett 3: 519-524 (1993) Article DOI: 10.1016/S0960-894X(01)81219-1 BindingDB Entry DOI: 10.7270/Q27081C5
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Mus musculus)	BDBM50281912 ((S)-3-[(R)-5-((S)-2-Acetylamino-3-phenyl-propionyl...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](N)CCCNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-46-31-18-12-11-16-29(28)31)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)30(44)17-13-19-45-39(56)32(47-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-16,18,23-25,30,32-34,36-37,46H,6-7,13,17,19-22,44H2,1-5H3,(H,45,56)(H,47,52)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,30+,32-,33-,34-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound for Endothelin A receptor was determined in murine 3T3 cells				Bioorg Med Chem Lett 3: 1253-1256 (1993) Article DOI: 10.1016/S0960-894X(00)80326-1 BindingDB Entry DOI: 10.7270/Q2ZC82S8
					More data for this Ligand-Target Pair