Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'marasco' and Initial = 'd'   

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
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048691 (CHEMBL3315139) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50320463 (CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048696 (CHEMBL3315142) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048695 (CHEMBL3315141) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048701 (CHEMBL3315148) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50413784 (UROTENSIN-II) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42+,43+,44+,45+,46+,47+,48+,49-,52+,53+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048700 (CHEMBL3315147) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048699 (CHEMBL3315146) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048697 (CHEMBL3315144) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048705 (CHEMBL3315152) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048703 (CHEMBL3315150) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048692 (CHEMBL3315140) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048702 (CHEMBL3315149) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50411333 (URANTIDE) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C51H66N10O12S2/c1-27(2)41(50(72)73)60-48(70)39-26-74-75-51(3,4)42(61-43(65)33(53)24-40(63)64)49(71)58-37(21-28-11-6-5-7-12-28)45(67)57-38(23-30-25-54-34-14-9-8-13-32(30)34)47(69)55-35(15-10-20-52)44(66)56-36(46(68)59-39)22-29-16-18-31(62)19-17-29/h5-9,11-14,16-19,25,27,33,35-39,41-42,54,62H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37-,38+,39-,41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048690 (CHEMBL3315143) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048704 (CHEMBL3315151) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048698 (CHEMBL3315145) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50048706 (CHEMBL3315153) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human recombinant UT receptor expressed in CHO-K1 cells by scintillation counting method				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM119124 ((E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-...) Show SMILES CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC |w:10.10,c:11,t:18| Show InChI InChI=1S/C22H33NO6/c1-6-7-8-9-10-11-12-13-16(22(26)23-29-5)14-17-15(2)18(24)20(27-3)21(28-4)19(17)25/h14H,6-13H2,1-5H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
Indiana University School of Medicine, Indianapolis, IN 46202, USA					Assay Description E3330 or E3330-amide was preincubated with 2 μL of APE1 (reduced with 1.0 mM DTT for 10 min and then diluted to a concentration of 0.06 mM with ...				Biochemistry 52: 2955-66 (2013) Article DOI: 10.1021/bi400179m BindingDB Entry DOI: 10.7270/Q2TQ605T
					More data for this Ligand-Target Pair
DNA-(apurinic or apyrimidinic site) endonuclease (Homo sapiens (Human))	BDBM50303955 ((E)-3-(5,6-Dimethoxy-3-methyl-14-dioxocyclohexa-25...) Show SMILES CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(O)=O |w:10.10,c:11,t:18| Show InChI InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Indiana University School of Medicine, Indianapolis, IN 46202, USA					Assay Description E3330 or E3330-amide was preincubated with 2 μL of APE1 (reduced with 1.0 mM DTT for 10 min and then diluted to a concentration of 0.06 mM with ...				Biochemistry 52: 2955-66 (2013) Article DOI: 10.1021/bi400179m BindingDB Entry DOI: 10.7270/Q2TQ605T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50578551 (CHEMBL4851880) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(=O)NC(Cc1cnc[nH]1)C(N)=O)NC(C)=O)[C@@H](C)O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus-infected Sf21 cells by Microsca...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113547 BindingDB Entry DOI: 10.7270/Q28K7DW7
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048690 (CHEMBL3315143) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50320463 (CHEMBL218994 | D[CFWKYC]V | H-Asp-Cys-Phe-Trp-Lys-...) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O Show InChI InChI=1S/C50H64N10O12S2/c1-27(2)42(50(71)72)60-49(70)40-26-74-73-25-39(58-43(64)33(52)23-41(62)63)48(69)56-36(20-28-10-4-3-5-11-28)45(66)57-38(22-30-24-53-34-13-7-6-12-32(30)34)47(68)54-35(14-8-9-19-51)44(65)55-37(46(67)59-40)21-29-15-17-31(61)18-16-29/h3-7,10-13,15-18,24,27,33,35-40,42,53,61H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048691 (CHEMBL3315139) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.398	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048692 (CHEMBL3315140) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.724	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048695 (CHEMBL3315141) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048696 (CHEMBL3315142) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048698 (CHEMBL3315145) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048697 (CHEMBL3315144) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0195	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048699 (CHEMBL3315146) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.813	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048700 (CHEMBL3315147) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048701 (CHEMBL3315148) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0126	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048702 (CHEMBL3315149) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048703 (CHEMBL3315150) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50048705 (CHEMBL3315152) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)[N+]([O-])=O)C(=O)N1)C(O)=O |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.631	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50540551 (CHEMBL4641893) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)[C@H](CCCCN)NC(C)=O)C(=O)NCCC(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C110H157N25O31/c1-59(2)48-77(97(153)117-46-40-88(145)115-45-41-89(146)121-78(49-64-20-10-8-11-21-64)101(157)128-81(52-67-30-34-70(143)35-31-67)104(160)129-82(53-68-54-118-72-25-15-14-24-71(68)72)105(161)131-83(55-136)106(162)119-61(5)95(151)134-92(60(3)4)110(166)135-93(62(6)140)94(114)150)126-99(155)75(36-38-87(113)144)124-103(159)80(51-66-28-32-69(142)33-29-66)127-100(156)76(37-39-91(148)149)125-108(164)84(56-137)130-98(154)74(27-17-19-44-112)123-107(163)85(57-138)133-109(165)86(58-139)132-102(158)79(50-65-22-12-9-13-23-65)122-90(147)42-47-116-96(152)73(120-63(7)141)26-16-18-43-111/h8-15,20-25,28-35,54,59-62,73-86,92-93,118,136-140,142-143H,16-19,26-27,36-53,55-58,111-112H2,1-7H3,(H2,113,144)(H2,114,150)(H,115,145)(H,116,152)(H,117,153)(H,119,162)(H,120,141)(H,121,146)(H,122,147)(H,123,163)(H,124,159)(H,125,164)(H,126,155)(H,127,156)(H,128,157)(H,129,160)(H,130,154)(H,131,161)(H,132,158)(H,133,165)(H,134,151)(H,135,166)(H,148,149)/t61-,62+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,92-,93-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Binding affinity to human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 end residues) at 25 degree C by microscale thermophoresis assay				ACS Med Chem Lett 11: 615-623 (2020) Article DOI: 10.1021/acsmedchemlett.9b00664 BindingDB Entry DOI: 10.7270/Q2BZ69K0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50578550 (CHEMBL4857393) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NC(Cc1cnc[nH]1)C(N)=O)NC(C)=O)[C@@H](C)O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to N-terminal His-tagged human JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus-infected Sf21 cells by Microsca...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113547 BindingDB Entry DOI: 10.7270/Q28K7DW7
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50413784 (UROTENSIN-II) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)/t34-,40+,42+,43+,44+,45+,46+,47+,48+,49-,52+,53+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
University of Naples"Federico II" Curated by ChEMBL					Assay Description Agonist activity at UT receptor in rat aorta assessed as contraction				J Med Chem 57: 5965-74 (2014) Article DOI: 10.1021/jm500218x BindingDB Entry DOI: 10.7270/Q2MC91NB
					More data for this Ligand-Target Pair