Compile Data Set for Download or QSAR

Found 487 hits with Last Name = 'leban' and Initial = 'j'   

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
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040317 (CHEMBL262756 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36-,42-,45-,46-,47-,48-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040307 (1-naphthyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Ph...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040299 (CHEMBL410783 | cyclopropylbenzene(CO)His-Trp-Ala-V...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H72N14O8/c1-33(2)50(57(79)67-34(3)52(74)70-49(25-40-29-61-32-65-40)58(80)72-21-13-18-41(72)30-63-46(51(59)73)22-36-14-7-5-8-15-36)71-53(75)35(4)66-55(77)47(23-38-27-62-45-20-12-11-19-42(38)45)69-56(78)48(24-39-28-60-31-64-39)68-54(76)44-26-43(44)37-16-9-6-10-17-37/h5-12,14-17,19-20,27-29,31-35,41,43-44,46-50,62-63H,13,18,21-26,30H2,1-4H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,76)(H,69,78)(H,70,74)(H,71,75)/t34-,35+,41-,43-,44?,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040325 (CHEMBL268386 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36+,42-,45+,46+,47+,48+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0380	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040299 (CHEMBL410783 | cyclopropylbenzene(CO)His-Trp-Ala-V...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1C[C@@H]1c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H72N14O8/c1-33(2)50(57(79)67-34(3)52(74)70-49(25-40-29-61-32-65-40)58(80)72-21-13-18-41(72)30-63-46(51(59)73)22-36-14-7-5-8-15-36)71-53(75)35(4)66-55(77)47(23-38-27-62-45-20-12-11-19-42(38)45)69-56(78)48(24-39-28-60-31-64-39)68-54(76)44-26-43(44)37-16-9-6-10-17-37/h5-12,14-17,19-20,27-29,31-35,41,43-44,46-50,62-63H,13,18,21-26,30H2,1-4H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,76)(H,69,78)(H,70,74)(H,71,75)/t34-,35+,41-,43-,44?,46+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0490	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040307 (1-naphthyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Ph...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H70N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-41-30-62-33-66-41)59(81)73-23-13-18-42(73)31-64-47(52(60)74)24-37-14-6-5-7-15-37)72-54(76)36(4)67-56(78)48(25-39-28-63-46-22-11-10-20-44(39)46)70-57(79)49(26-40-29-61-32-65-40)69-55(77)45-21-12-17-38-16-8-9-19-43(38)45/h5-12,14-17,19-22,28-30,32-36,42,47-51,63-64H,13,18,23-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,42-,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040301 (4-OHPhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-11-6-5-7-12-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-16-19-42(72)20-17-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040312 (2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-D...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H74N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-43-30-62-33-66-43)59(81)73-22-12-17-44(73)31-64-47(52(60)74)23-37-13-6-5-7-14-37)72-54(76)36(4)67-56(78)48(25-41-28-63-46-19-11-10-18-45(41)46)70-57(79)49(26-42-29-61-32-65-42)69-55(77)40-21-20-38-15-8-9-16-39(38)24-40/h5-11,13-16,18-19,28-30,32-36,40,44,47-51,63-64H,12,17,20-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,40?,44-,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0790	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040308 (2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H71N15O8/c1-32(2)49(55(78)66-33(3)51(74)69-47(25-39-28-60-31-64-39)56(79)71-20-12-16-40(71)29-62-44(50(58)73)21-35-13-6-5-7-14-35)70-52(75)34(4)65-53(76)45(22-37-26-61-43-19-11-9-17-41(37)43)68-54(77)46(24-38-27-59-30-63-38)67-48(72)23-36-15-8-10-18-42(36)57/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,61-62H,12,16,20-25,29,57H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040310 (3-CF3PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(c1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040315 ((CH3)2PhC(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H74N14O8/c1-34(2)49(55(78)67-35(3)51(74)69-48(27-41-30-61-33-65-41)56(79)72-23-15-20-42(72)31-63-45(50(59)73)24-37-16-9-7-10-17-37)71-52(75)36(4)66-53(76)46(25-38-28-62-44-22-14-13-21-43(38)44)68-54(77)47(26-40-29-60-32-64-40)70-57(80)58(5,6)39-18-11-8-12-19-39/h7-14,16-19,21-22,28-30,32-36,42,45-49,62-63H,15,20,23-27,31H2,1-6H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,76)(H,67,78)(H,68,77)(H,69,74)(H,70,80)(H,71,75)/t35-,36+,42-,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040315 ((CH3)2PhC(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H74N14O8/c1-34(2)49(55(78)67-35(3)51(74)69-48(27-41-30-61-33-65-41)56(79)72-23-15-20-42(72)31-63-45(50(59)73)24-37-16-9-7-10-17-37)71-52(75)36(4)66-53(76)46(25-38-28-62-44-22-14-13-21-43(38)44)68-54(77)47(26-40-29-60-32-64-40)70-57(80)58(5,6)39-18-11-8-12-19-39/h7-14,16-19,21-22,28-30,32-36,42,45-49,62-63H,15,20,23-27,31H2,1-6H3,(H2,59,73)(H,60,64)(H,61,65)(H,66,76)(H,67,78)(H,68,77)(H,69,74)(H,70,80)(H,71,75)/t35-,36+,42-,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040317 (CHEMBL262756 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36-,42-,45-,46-,47-,48-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040301 (4-OHPhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-11-6-5-7-12-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-16-19-42(72)20-17-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040312 (2-tetrahydronaphthyl(CO)His-Trp-Ala-Val-DAla-His-D...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCc2ccccc2C1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H74N14O8/c1-34(2)51(58(80)68-35(3)53(75)71-50(27-43-30-62-33-66-43)59(81)73-22-12-17-44(73)31-64-47(52(60)74)23-37-13-6-5-7-14-37)72-54(76)36(4)67-56(78)48(25-41-28-63-46-19-11-10-18-45(41)46)70-57(79)49(26-42-29-61-32-65-42)69-55(77)40-21-20-38-15-8-9-16-39(38)24-40/h5-11,13-16,18-19,28-30,32-36,40,44,47-51,63-64H,12,17,20-27,31H2,1-4H3,(H2,60,74)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,77)(H,70,79)(H,71,75)(H,72,76)/t35-,36+,40?,44-,47+,48+,49+,50+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040320 (CHEMBL264122 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C57H72N14O9/c1-33(2)50(56(79)66-34(3)52(75)69-48(26-40-29-60-32-64-40)57(80)71-22-10-13-41(71)30-62-45(51(58)74)23-37-16-19-42(72)20-17-37)70-53(76)35(4)65-54(77)46(24-38-27-61-44-15-9-8-14-43(38)44)68-55(78)47(25-39-28-59-31-63-39)67-49(73)21-18-36-11-6-5-7-12-36/h5-9,11-12,14-17,19-20,27-29,31-35,41,45-48,50,61-62,72H,10,13,18,21-26,30H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,77)(H,66,79)(H,67,73)(H,68,78)(H,69,75)(H,70,76)/t34-,35+,41-,45+,46+,47+,48+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (RAT)	BDBM50034128 (CHEMBL441396 | Neuropeptide Y(NPY) | Tyr-Pro-Ser-L...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C190H286N54O58/c1-16-94(9)149(179(294)233-128(81-141(194)254)168(283)225-123(74-93(7)8)171(286)239-150(95(10)17-2)180(295)240-151(100(15)247)181(296)221-116(32-23-67-208-190(202)203)155(270)220-118(57-60-140(193)253)160(275)218-115(31-22-66-207-189(200)201)158(273)235-133(186(301)302)79-105-45-55-111(252)56-46-105)238-172(287)126(78-104-43-53-110(251)54-44-104)228-167(282)127(80-106-86-204-90-210-106)229-157(272)114(30-21-65-206-188(198)199)219-164(279)122(73-92(5)6)223-154(269)97(12)212-173(288)134(88-245)236-166(281)125(77-103-41-51-109(250)52-42-103)227-165(280)124(76-102-39-49-108(249)50-40-102)226-156(271)113(29-20-64-205-187(196)197)216-152(267)96(11)211-162(277)121(72-91(3)4)224-169(284)130(84-147(263)264)231-161(276)119(59-62-145(259)260)217-153(268)98(13)213-176(291)137-34-25-68-241(137)182(297)99(14)214-163(278)129(83-146(261)262)230-159(274)117(58-61-144(257)258)215-143(256)87-209-175(290)136-33-24-70-243(136)185(300)132(82-142(195)255)234-170(285)131(85-148(265)266)232-177(292)139-36-27-71-244(139)184(299)120(28-18-19-63-191)222-174(289)135(89-246)237-178(293)138-35-26-69-242(138)183(298)112(192)75-101-37-47-107(248)48-38-101/h37-56,86,90-100,112-139,149-151,245-252H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,255)(H,204,210)(H,209,290)(H,211,277)(H,212,288)(H,213,291)(H,214,278)(H,215,256)(H,216,267)(H,217,268)(H,218,275)(H,219,279)(H,220,270)(H,221,296)(H,222,289)(H,223,269)(H,224,284)(H,225,283)(H,226,271)(H,227,280)(H,228,282)(H,229,272)(H,230,274)(H,231,276)(H,232,292)(H,233,294)(H,234,285)(H,235,273)(H,236,281)(H,237,293)(H,238,287)(H,239,286)(H,240,295)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,301,302)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description 50% displacement of specifically bound [3H]-NPY2 from rat brain membranes.				J Med Chem 38: 1150-7 (1995) BindingDB Entry DOI: 10.7270/Q2513X8D
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407275 (CHEMBL2112786) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36-,37+,43-,46+,47+,48+,49+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401571 (US10005769, No. 35) Show SMILES O=C(Nc1nc2cc(ccc2[nH]1)C(=O)NCC1CCCO1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040316 (3-isoquinolyl(CO)His-Trp-Ala-Val-DAla-His-DPro(psi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2cn1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H69N15O8/c1-33(2)50(57(80)68-34(3)52(75)71-49(25-41-29-61-32-66-41)58(81)73-20-12-17-42(73)30-64-45(51(59)74)21-36-13-6-5-7-14-36)72-53(76)35(4)67-55(78)47(23-39-27-62-44-19-11-10-18-43(39)44)69-56(79)48(24-40-28-60-31-65-40)70-54(77)46-22-37-15-8-9-16-38(37)26-63-46/h5-11,13-16,18-19,22,26-29,31-35,42,45,47-50,62,64H,12,17,20-21,23-25,30H2,1-4H3,(H2,59,74)(H,60,65)(H,61,66)(H,67,78)(H,68,80)(H,69,79)(H,70,77)(H,71,75)(H,72,76)/t34-,35+,42-,45+,47+,48+,49+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401559 (US10005769, No. 23) Show SMILES COCCNC(=O)c1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 Show InChI InChI=1S/C23H21N5O4S/c1-31-9-7-24-20(29)14-2-4-16-17(11-14)27-23(26-16)28-21(30)18-12-33-22(25-18)15-3-5-19-13(10-15)6-8-32-19/h2-5,10-12H,6-9H2,1H3,(H,24,29)(H2,26,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.699	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040324 (CHEMBL266516 | PhCH2CH2(CO)His-(BzthAla)-Ala-Val-D...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H71N13O8S/c1-34(2)50(56(77)65-35(3)52(73)68-47(27-41-29-60-33-63-41)57(78)70-23-13-18-42(70)30-61-44(51(58)72)24-38-16-9-6-10-17-38)69-53(74)36(4)64-54(75)45(25-39-31-79-48-20-12-11-19-43(39)48)67-55(76)46(26-40-28-59-32-62-40)66-49(71)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-29,31-36,42,44-47,50,61H,13,18,21-27,30H2,1-4H3,(H2,58,72)(H,59,62)(H,60,63)(H,64,75)(H,65,77)(H,66,71)(H,67,76)(H,68,73)(H,69,74)/t35-,36-,42+,44-,45-,46-,47-,50-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401558 (US10005769, No. 22) Show SMILES O=C(Nc1nc2cc(ccc2[nH]1)C(=O)N1CCCC1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C24H21N5O3S/c30-21(19-13-33-22(25-19)15-4-6-20-14(11-15)7-10-32-20)28-24-26-17-5-3-16(12-18(17)27-24)23(31)29-8-1-2-9-29/h3-6,11-13H,1-2,7-10H2,(H2,26,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.852	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine (Homo sapiens (Human))	BDBM50133864 (CHEMBL2139947 | US10251893, Compound 59) Show SMILES Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H21N3O/c1-18-15-22(12-14-27-18)20-6-4-19(5-7-20)16-25(29)28-24-10-8-21(9-11-24)23-3-2-13-26-17-23/h2-15,17H,16H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Ulm University Hospital Curated by ChEMBL					Assay Description Inhibition of porcupine in HEK293T cells transfected with Wnt3A-expressing vector assessed as suppression of Wnt/beta-catenin signaling after 22 hrs ...				J Med Chem 61: 4087-4102 (2018) Article DOI: 10.1021/acs.jmedchem.8b00095 BindingDB Entry DOI: 10.7270/Q2GX4F5D
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040310 (3-CF3PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc(c1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H71F3N14O8/c1-33(2)50(56(82)70-34(3)52(78)73-48(26-41-29-64-32-68-41)57(83)75-21-11-16-42(75)30-66-45(51(62)77)23-36-12-6-5-7-13-36)74-53(79)35(4)69-54(80)46(24-38-27-65-44-18-9-8-17-43(38)44)72-55(81)47(25-40-28-63-31-67-40)71-49(76)20-19-37-14-10-15-39(22-37)58(59,60)61/h5-10,12-15,17-18,22,27-29,31-35,42,45-48,50,65-66H,11,16,19-21,23-26,30H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t34-,35+,42-,45+,46+,47+,48+,50+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407276 (CHEMBL2111952) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36+,37-,43+,46-,47-,48-,49-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395] (Homo sapiens (Human))	BDBM16117 (3-{[2,3,5,6-tetrafluoro-4-(2-methoxyphenyl)phenyl]...) Show SMILES COc1ccccc1-c1c(F)c(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1F |(1.02,8.12,;-.07,7.03,;.7,5.69,;2.24,5.69,;3.01,4.36,;2.24,3.03,;.7,3.03,;-.07,4.36,;-1.61,4.36,;-2.38,5.69,;-1.61,7.03,;-3.92,5.69,;-4.69,7.03,;-4.69,4.36,;-6.23,4.36,;-7,3.03,;-6.23,1.69,;-8.54,3.03,;-9.65,1.96,;-11.01,2.69,;-10.73,4.21,;-9.21,4.41,;-8.48,5.77,;-9.29,7.08,;-6.94,5.82,;-3.92,3.03,;-4.69,1.69,;-2.38,3.03,;-1.61,1.69,)| Show InChI InChI=1S/C19H11F4NO4S/c1-28-10-5-3-2-4-8(10)11-12(20)14(22)16(15(23)13(11)21)24-18(25)9-6-7-29-17(9)19(26)27/h2-7H,1H3,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	25
4SC AG					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				Bioorg Med Chem Lett 16: 267-70 (2006) Article DOI: 10.1016/j.bmcl.2005.10.011 BindingDB Entry DOI: 10.7270/Q2CJ8BQ4
					More data for this Ligand-Target Pair				3D Structure (docked)
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407273 (CHEMBL2111953) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-33(2)49(56(78)66-35(4)52(74)69-48(26-41-29-60-32-64-41)57(79)71-22-14-19-42(71)30-62-45(50(58)72)23-37-15-8-6-9-16-37)70-53(75)36(5)65-54(76)46(24-39-27-61-44-21-13-12-20-43(39)44)68-55(77)47(25-40-28-59-31-63-40)67-51(73)34(3)38-17-10-7-11-18-38/h6-13,15-18,20-21,27-29,31-36,42,45-49,61-62H,14,19,22-26,30H2,1-5H3,(H2,58,72)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,73)(H,68,77)(H,69,74)(H,70,75)/t34-,35+,36-,42+,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407276 (CHEMBL2111952) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C58H74N14O8/c1-34(2)51(57(79)67-36(4)53(75)70-49(27-42-30-61-33-65-42)58(80)72-22-14-19-43(72)31-63-46(52(59)74)24-38-15-8-6-9-16-38)71-54(76)37(5)66-55(77)47(25-40-28-62-45-21-13-12-20-44(40)45)69-56(78)48(26-41-29-60-32-64-41)68-50(73)23-35(3)39-17-10-7-11-18-39/h6-13,15-18,20-21,28-30,32-37,43,46-49,51,62-63H,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36+,37-,43+,46-,47-,48-,49-,51-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040314 ((CH3)2PhCCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC(C)(C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H76N14O8/c1-35(2)51(57(80)68-36(3)53(76)71-49(27-42-31-62-34-66-42)58(81)73-23-15-20-43(73)32-64-46(52(60)75)24-38-16-9-7-10-17-38)72-54(77)37(4)67-55(78)47(25-39-29-63-45-22-14-13-21-44(39)45)70-56(79)48(26-41-30-61-33-65-41)69-50(74)28-59(5,6)40-18-11-8-12-19-40/h7-14,16-19,21-22,29-31,33-37,43,46-49,51,63-64H,15,20,23-28,32H2,1-6H3,(H2,60,75)(H,61,65)(H,62,66)(H,67,78)(H,68,80)(H,69,74)(H,70,79)(H,71,76)(H,72,77)/t36-,37+,43-,46+,47+,48+,49+,51+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407273 (CHEMBL2111953) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-33(2)49(56(78)66-35(4)52(74)69-48(26-41-29-60-32-64-41)57(79)71-22-14-19-42(71)30-62-45(50(58)72)23-37-15-8-6-9-16-37)70-53(75)36(5)65-54(76)46(24-39-27-61-44-21-13-12-20-43(39)44)68-55(77)47(25-40-28-59-31-63-40)67-51(73)34(3)38-17-10-7-11-18-38/h6-13,15-18,20-21,27-29,31-36,42,45-49,61-62H,14,19,22-26,30H2,1-5H3,(H2,58,72)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,73)(H,68,77)(H,69,74)(H,70,75)/t34-,35+,36-,42+,45-,46-,47-,48-,49-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401537 (US10005769, No. 1) Show SMILES O=C(Nc1nc2cc(ccc2[nH]1)C#N)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C20H13N5O2S/c21-9-11-1-3-14-15(7-11)24-20(23-14)25-18(26)16-10-28-19(22-16)13-2-4-17-12(8-13)5-6-27-17/h1-4,7-8,10H,5-6H2,(H2,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.38	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401539 (US10005769, No. 3) Show SMILES CS(=O)(=O)c1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 Show InChI InChI=1S/C20H16N4O4S2/c1-30(26,27)13-3-4-14-15(9-13)23-20(22-14)24-18(25)16-10-29-19(21-16)12-2-5-17-11(8-12)6-7-28-17/h2-5,8-10H,6-7H2,1H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401543 (US10005769, No. 7) Show SMILES CN(C)C(=O)c1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 Show InChI InChI=1S/C22H19N5O3S/c1-27(2)21(29)14-3-5-15-16(10-14)25-22(24-15)26-19(28)17-11-31-20(23-17)13-4-6-18-12(9-13)7-8-30-18/h3-6,9-11H,7-8H2,1-2H3,(H2,24,25,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401542 (US10005769, No. 6) Show SMILES Clc1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 Show InChI InChI=1S/C19H13ClN4O2S/c20-12-2-3-13-14(8-12)23-19(22-13)24-17(25)15-9-27-18(21-15)11-1-4-16-10(7-11)5-6-26-16/h1-4,7-9H,5-6H2,(H2,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040323 (CHEMBL265736 | phenothiazoneCH2CH2(CO)His-Trp-Ala-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN1c2ccccc2Sc2ccccc12)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C63H75N15O8S/c1-37(2)56(62(85)72-38(3)58(81)75-50(30-43-33-66-36-70-43)63(86)77-25-14-17-44(77)34-68-47(57(64)80)27-40-15-6-5-7-16-40)76-59(82)39(4)71-60(83)48(28-41-31-67-46-19-9-8-18-45(41)46)74-61(84)49(29-42-32-65-35-69-42)73-55(79)24-26-78-51-20-10-12-22-53(51)87-54-23-13-11-21-52(54)78/h5-13,15-16,18-23,31-33,35-39,44,47-50,56,67-68H,14,17,24-30,34H2,1-4H3,(H2,64,80)(H,65,69)(H,66,70)(H,71,83)(H,72,85)(H,73,79)(H,74,84)(H,75,81)(H,76,82)/t38-,39+,44-,47+,48+,49+,50+,56+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM15341 (3-({2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phe...) Show SMILES OC(=O)c1sccc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C19H10F5NO4S/c20-13-7-10(9-2-1-3-11(6-9)29-19(22,23)24)8-14(21)15(13)25-17(26)12-4-5-30-16(12)18(27)28/h1-8H,(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
4SC AG					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				J Med Chem 49: 1239-47 (2006) Article DOI: 10.1021/jm0506975 BindingDB Entry DOI: 10.7270/Q2571988
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040308 (2-aminoPhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccccc1N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C56H71N15O8/c1-32(2)49(55(78)66-33(3)51(74)69-47(25-39-28-60-31-64-39)56(79)71-20-12-16-40(71)29-62-44(50(58)73)21-35-13-6-5-7-14-35)70-52(75)34(4)65-53(76)45(22-37-26-61-43-19-11-9-17-41(37)43)68-54(77)46(24-38-27-59-30-63-38)67-48(72)23-36-15-8-10-18-42(36)57/h5-11,13-15,17-19,26-28,30-34,40,44-47,49,61-62H,12,16,20-25,29,57H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t33-,34+,40-,44+,45+,46+,47+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040298 (CHEMBL386478 | PhCH2CH2(CO)His-Trp-Ala-Val-DAla-Hi...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccc2ccccc2c1)C(N)=O Show InChI InChI=1S/C61H74N14O8/c1-36(2)54(60(82)70-37(3)56(78)73-52(29-45-32-64-35-68-45)61(83)75-24-12-17-46(75)33-66-49(55(62)77)26-40-20-22-41-15-8-9-16-42(41)25-40)74-57(79)38(4)69-58(80)50(27-43-30-65-48-19-11-10-18-47(43)48)72-59(81)51(28-44-31-63-34-67-44)71-53(76)23-21-39-13-6-5-7-14-39/h5-11,13-16,18-20,22,25,30-32,34-38,46,49-52,54,65-66H,12,17,21,23-24,26-29,33H2,1-4H3,(H2,62,77)(H,63,67)(H,64,68)(H,69,80)(H,70,82)(H,71,76)(H,72,81)(H,73,78)(H,74,79)/t37-,38+,46-,49+,50+,51+,52+,54+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401578 (US10005769, No. 42) Show SMILES O=C(Nc1nc(n[nH]1)-c1ccncc1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C19H14N6O2S/c26-17(23-19-22-16(24-25-19)11-3-6-20-7-4-11)14-10-28-18(21-14)13-1-2-15-12(9-13)5-8-27-15/h1-4,6-7,9-10H,5,8H2,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.06	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401583 (US10005769, No. 47) Show SMILES CCN1CCN(CC1)C(=O)c1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 Show InChI InChI=1S/C26H26N6O3S/c1-2-31-8-10-32(11-9-31)25(34)18-3-5-19-20(14-18)29-26(28-19)30-23(33)21-15-36-24(27-21)17-4-6-22-16(13-17)7-12-35-22/h3-6,13-15H,2,7-12H2,1H3,(H2,28,29,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401581 (US10005769, No. 45) Show SMILES O=C(Nc1nc(n[nH]1)-c1cccnc1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C19H14N6O2S/c26-17(23-19-22-16(24-25-19)13-2-1-6-20-9-13)14-10-28-18(21-14)12-3-4-15-11(8-12)5-7-27-15/h1-4,6,8-10H,5,7H2,(H2,22,23,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.81	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407277 (CHEMBL2112785) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-33(2)49(56(78)66-35(4)52(74)69-48(26-41-29-60-32-64-41)57(79)71-22-14-19-42(71)30-62-45(50(58)72)23-37-15-8-6-9-16-37)70-53(75)36(5)65-54(76)46(24-39-27-61-44-21-13-12-20-43(39)44)68-55(77)47(25-40-28-59-31-63-40)67-51(73)34(3)38-17-10-7-11-18-38/h6-13,15-18,20-21,27-29,31-36,42,45-49,61-62H,14,19,22-26,30H2,1-5H3,(H2,58,72)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,73)(H,68,77)(H,69,74)(H,70,75)/t34-,35-,36+,42-,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50407277 (CHEMBL2112785) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)c1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H72N14O8/c1-33(2)49(56(78)66-35(4)52(74)69-48(26-41-29-60-32-64-41)57(79)71-22-14-19-42(71)30-62-45(50(58)72)23-37-15-8-6-9-16-37)70-53(75)36(5)65-54(76)46(24-39-27-61-44-21-13-12-20-43(39)44)68-55(77)47(25-40-28-59-31-63-40)67-51(73)34(3)38-17-10-7-11-18-38/h6-13,15-18,20-21,27-29,31-36,42,45-49,61-62H,14,19,22-26,30H2,1-5H3,(H2,58,72)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,73)(H,68,77)(H,69,74)(H,70,75)/t34-,35-,36+,42-,45+,46+,47+,48+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description The ability of the peptide to inhibit the binding of 50 pM [125I]-Gastrin releasing peptide to intact S-3T3 cells				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial [30-395] (Homo sapiens (Human))	BDBM16115 (3-{[4-(3-ethoxyphenyl)-2,6-difluorophenyl]carbamoy...) Show SMILES CCOc1cccc(c1)-c1cc(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1 Show InChI InChI=1S/C20H15F2NO4S/c1-2-27-13-5-3-4-11(8-13)12-9-15(21)17(16(22)10-12)23-19(24)14-6-7-28-18(14)20(25)26/h3-10H,2H2,1H3,(H,23,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	25
4SC AG					Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...				Bioorg Med Chem Lett 16: 267-70 (2006) Article DOI: 10.1016/j.bmcl.2005.10.011 BindingDB Entry DOI: 10.7270/Q2CJ8BQ4
					More data for this Ligand-Target Pair				3D Structure (docked)
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401544 (US10005769, No. 8) Show SMILES O=C(Nc1nc2cc(ccc2[nH]1)C(=O)N1CCN(CC2CCCO2)CC1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401561 (US10005769, No. 25) Show SMILES O=C(Nc1nc(n[nH]1)C(=O)NC1CC1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C18H16N6O3S/c25-15(22-18-21-14(23-24-18)16(26)19-11-2-3-11)12-8-28-17(20-12)10-1-4-13-9(7-10)5-6-27-13/h1,4,7-8,11H,2-3,5-6H2,(H,19,26)(H2,21,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.51	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401545 (US10005769, No. 9) Show SMILES CCOC(=O)c1ccc2[nH]c(NC(=O)c3csc(n3)-c3ccc4OCCc4c3)nc2c1 Show InChI InChI=1S/C22H18N4O4S/c1-2-29-21(28)14-3-5-15-16(10-14)25-22(24-15)26-19(27)17-11-31-20(23-17)13-4-6-18-12(9-13)7-8-30-18/h3-6,9-11H,2,7-8H2,1H3,(H2,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.63	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (MOUSE)	BDBM50040319 (4-CF3PhCH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Ph...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1ccc(cc1)C(F)(F)F)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C57H69F3N14O8/c1-32(2)49(55(81)69-33(3)51(77)72-47(25-40-28-63-31-67-40)56(82)74-20-10-13-41(74)29-65-44(50(61)76)21-35-11-6-5-7-12-35)73-52(78)34(4)68-53(79)45(23-37-26-64-43-15-9-8-14-42(37)43)71-54(80)46(24-39-27-62-30-66-39)70-48(75)22-36-16-18-38(19-17-36)57(58,59)60/h5-9,11-12,14-19,26-28,30-34,41,44-47,49,64-65H,10,13,20-25,29H2,1-4H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t33-,34+,41-,44+,45+,46+,47+,49+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Company Curated by ChEMBL					Assay Description Ability of peptide to inhibit binding of 10 pM [125I]-gastrin releasing peptide to S-3T3 cell membrane.				J Med Chem 37: 439-45 (1994) BindingDB Entry DOI: 10.7270/Q2ST7NXN
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM401546 (US10005769, No. 10) Show SMILES O=C(Nc1nc2cc(ccc2[nH]1)C(=O)N1CCOCC1)c1csc(n1)-c1ccc2OCCc2c1 Show InChI InChI=1S/C24H21N5O4S/c30-21(19-13-34-22(25-19)15-2-4-20-14(11-15)5-8-33-20)28-24-26-17-3-1-16(12-18(17)27-24)23(31)29-6-9-32-10-7-29/h1-4,11-13H,5-10H2,(H2,26,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.72	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The substrate DYRKtide (synthetic peptide RRRFRPASPLRGPPK) was dissolved in freshly prepared Base Reaction Buffer (20 mM Hepes (pH 7.5), 10 mM MgCl2,...				Bioorg Med Chem Lett 19: 908-11 (2009) BindingDB Entry DOI: 10.7270/Q2F19224
					More data for this Ligand-Target Pair

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