Found 433 hits with Last Name = 'moore' and Initial = 'je' 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 |
Neuronal acetylcholine receptor subunit alpha-4
(Homo sapiens (Human)) | BDBM50047420
(CHEMBL3319405)Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of alpha4 nAChR (unknown origin) |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50047420
(CHEMBL3319405)Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of DAT (unknown origin) |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50265896
(CHEMBL4070359)Show SMILES Cc1nn(-c2ccc(C)cn2)c2cc(ncc12)-c1ccc(cc1F)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H19FN4O2/c1-12-3-6-22(26-10-12)28-21-9-20(25-11-18(21)13(2)27-28)15-5-4-14(7-19(15)24)16-8-17(16)23(29)30/h3-7,9-11,16-17H,8H2,1-2H3,(H,29,30)/t16-,17+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Adenosine A2A receptor (unknown origin) |
J Med Chem 60: 3187-3197 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047485
(CHEMBL3319217)Show SMILES CCc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C25H30ClN5O4S2/c1-3-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)36-25)37(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0780 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047481
(CHEMBL3319221)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccc4)sc3c2)CC1 Show InChI InChI=1S/C27H29ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h2-3,5-8,10-11,17-18H,4,9,12-16H2,1H3,(H2,29,30,31,35,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047429
(CHEMBL3319398)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(cc4Cl)C#N)sc3c2)CC1 Show InChI InChI=1S/C28H32ClN7O4S2/c1-34-10-12-35(13-11-34)7-4-14-42(39,40)20-5-6-23-25(16-20)41-28(31-23)33-27(38)32-26(37)21-17-24(36-8-2-3-9-36)19(18-30)15-22(21)29/h5-6,15-17H,2-4,7-14H2,1H3,(H2,31,32,33,37,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047480
(CHEMBL3319222)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O4S2/c1-32-12-14-33(15-13-32)9-4-16-40(37,38)20-6-8-23-24(18-20)39-27(29-23)31-26(36)30-25(35)21-17-19(5-7-22(21)28)34-10-2-3-11-34/h5-8,17-18H,2-4,9-16H2,1H3,(H2,29,30,31,35,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047431
(CHEMBL3319397)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(c(Cl)cc4Cl)-n4cccn4)sc3c2)CC1 Show InChI InChI=1S/C26H27Cl2N7O4S2/c1-33-9-11-34(12-10-33)7-3-13-41(38,39)17-4-5-21-23(14-17)40-26(30-21)32-25(37)31-24(36)18-15-22(20(28)16-19(18)27)35-8-2-6-29-35/h2,4-6,8,14-16H,3,7,9-13H2,1H3,(H2,30,31,32,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047482
(CHEMBL3319220)Show SMILES CCOc1ccc(Cl)c(c1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C25H30ClN5O5S2/c1-3-36-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)37-25)38(34,35)14-4-9-31-12-10-30(2)11-13-31/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,27,28,29,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047483
(CHEMBL3319219)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)C4CC4)sc3c2)CC1 Show InChI InChI=1S/C26H30ClN5O4S2/c1-31-10-12-32(13-11-31)9-2-14-38(35,36)19-6-8-22-23(16-19)37-26(28-22)30-25(34)29-24(33)20-15-18(17-3-4-17)5-7-21(20)27/h5-8,15-17H,2-4,9-14H2,1H3,(H2,28,29,30,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047688
(CHEMBL3319407)Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(N4CCCC4)c(cc3Cl)C#N)sc2c1 Show InChI InChI=1S/C26H27ClN6O4S2/c1-32-10-6-17(7-11-32)39(36,37)18-4-5-21-23(13-18)38-26(29-21)31-25(35)30-24(34)19-14-22(33-8-2-3-9-33)16(15-28)12-20(19)27/h4-5,12-14,17H,2-3,6-11H2,1H3,(H2,29,30,31,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047426
(CHEMBL3319400)Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccc3)sc2c1 Show InChI InChI=1S/C26H28ClN5O4S2/c1-3-31(4-2)12-7-15-38(35,36)19-9-11-22-23(17-19)37-26(28-22)30-25(34)29-24(33)20-16-18(8-10-21(20)27)32-13-5-6-14-32/h5-6,8-11,13-14,16-17H,3-4,7,12,15H2,1-2H3,(H2,28,29,30,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047474
(CHEMBL3319228)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccc(cc4Cl)-n4ccc(C)n4)sc3c2)CC1 Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-21(22(28)16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047475
(CHEMBL3319227)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4ccc(C)n4)sc3c2)CC1 Show InChI InChI=1S/C27H30ClN7O4S2/c1-18-8-10-35(32-18)19-4-6-22(28)21(16-19)25(36)30-26(37)31-27-29-23-7-5-20(17-24(23)40-27)41(38,39)15-3-9-34-13-11-33(2)12-14-34/h4-8,10,16-17H,3,9,11-15H2,1-2H3,(H2,29,30,31,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.530 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047428
(CHEMBL3319399)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc5n(C)ccc5cc4Cl)sc3c2)CC1 Show InChI InChI=1S/C26H29ClN6O4S2/c1-31-9-11-33(12-10-31)7-3-13-39(36,37)18-4-5-21-23(15-18)38-26(28-21)30-25(35)29-24(34)19-16-22-17(14-20(19)27)6-8-32(22)2/h4-6,8,14-16H,3,7,9-13H2,1-2H3,(H2,28,29,30,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047432
(CHEMBL3319396)Show SMILES COc1cc(Cl)c(cc1-n1cccn1)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)CCCN1CCN(C)CC1 Show InChI InChI=1S/C27H30ClN7O5S2/c1-33-10-12-34(13-11-33)8-4-14-42(38,39)18-5-6-21-24(15-18)41-27(30-21)32-26(37)31-25(36)19-16-22(35-9-3-7-29-35)23(40-2)17-20(19)28/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H2,30,31,32,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047478
(CHEMBL3319225)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4cccn4)sc3c2)CC1 Show InChI InChI=1S/C26H28ClN7O4S2/c1-32-11-13-33(14-12-32)9-3-15-40(37,38)19-5-7-22-23(17-19)39-26(29-22)31-25(36)30-24(35)20-16-18(4-6-21(20)27)34-10-2-8-28-34/h2,4-8,10,16-17H,3,9,11-15H2,1H3,(H2,29,30,31,35,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047479
(CHEMBL3319224)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-c4ccccn4)sc3c2)CC1 Show InChI InChI=1S/C28H29ClN6O4S2/c1-34-12-14-35(15-13-34)11-4-16-41(38,39)20-7-9-24-25(18-20)40-28(31-24)33-27(37)32-26(36)21-17-19(6-8-22(21)29)23-5-2-3-10-30-23/h2-3,5-10,17-18H,4,11-16H2,1H3,(H2,31,32,33,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047418
(CHEMBL3319223)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047687
(CHEMBL3319406)Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O4S2/c1-30-12-8-17(9-13-30)37(34,35)18-5-7-21-22(15-18)36-25(27-21)29-24(33)28-23(32)19-14-16(4-6-20(19)26)31-10-2-3-11-31/h4-7,14-15,17H,2-3,8-13H2,1H3,(H2,27,28,29,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047416
(CHEMBL3319215)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047434
(CHEMBL3319229)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)-n4nc(C)cc4C)sc3c2)CC1 Show InChI InChI=1S/C28H32ClN7O4S2/c1-18-15-19(2)36(33-18)20-5-7-23(29)22(16-20)26(37)31-27(38)32-28-30-24-8-6-21(17-25(24)41-28)42(39,40)14-4-9-35-12-10-34(3)11-13-35/h5-8,15-17H,4,9-14H2,1-3H3,(H2,30,31,32,37,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047423
(CHEMBL3319402)Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C26H32ClN5O5S2/c1-3-31(4-2)10-5-15-39(35,36)19-7-9-22-23(17-19)38-26(28-22)30-25(34)29-24(33)20-16-18(6-8-21(20)27)32-11-13-37-14-12-32/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,28,29,30,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454570
(US10717746, Example 51)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCC(C)(C)Cc23)c(F)cn1 |r| Show InChI InChI=1S/C23H30FN5O2/c1-14(30)27-16-6-4-5-15(9-16)22(31)28-21-10-17(19(24)13-25-21)18-12-26-29-8-7-23(2,3)11-20(18)29/h10,12-13,15-16H,4-9,11H2,1-3H3,(H,27,30)(H,25,28,31)/t15-,16+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588261
(CHEMBL5170524)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588266
(CHEMBL5181709)Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588272
(CHEMBL5180640)Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588290
(CHEMBL5191725)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCNCC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588255
(CHEMBL5170195)Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167534
(US9073922, 18 | US9796708, Example 18)Show InChI InChI=1S/C19H20FN3O/c1-24-18-10-13(20)2-3-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-3,6,9-12,21H,4-5,7-8H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454567
(US10717746, Example 48)Show SMILES CC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C21H26ClN5O2/c1-12(28)25-14-5-4-13(6-14)20(29)26-19-7-15(17(22)10-23-19)16-9-24-27-11-21(2,3)8-18(16)27/h7,9-10,13-14H,4-6,8,11H2,1-3H3,(H,25,28)(H,23,26,29)/t13-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588262
(CHEMBL5197170)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588263
(CHEMBL5198038)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588264
(CHEMBL5207871)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588263
(CHEMBL5198038)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Histone deacetylase
(Rattus norvegicus) | BDBM50047418
(CHEMBL3319223)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)N4CCOCC4)sc3c2)CC1 Show InChI InChI=1S/C27H33ClN6O5S2/c1-32-8-10-33(11-9-32)7-2-16-41(37,38)20-4-6-23-24(18-20)40-27(29-23)31-26(36)30-25(35)21-17-19(3-5-22(21)28)34-12-14-39-15-13-34/h3-6,17-18H,2,7-16H2,1H3,(H2,29,30,31,35,36) | UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Histone deacetylase 1/3/4/6/7
(Rattus norvegicus) | BDBM50047416
(CHEMBL3319215)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Show InChI InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from rat GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047424
(CHEMBL3319401)Show SMILES CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)-n3cccn3)sc2c1 Show InChI InChI=1S/C25H27ClN6O4S2/c1-3-31(4-2)12-6-14-38(35,36)18-8-10-21-22(16-18)37-25(28-21)30-24(34)29-23(33)19-15-17(7-9-20(19)26)32-13-5-11-27-32/h5,7-11,13,15-16H,3-4,6,12,14H2,1-2H3,(H2,28,29,30,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588261
(CHEMBL5170524)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588285
(CHEMBL5179773)Show SMILES CC(C)n1cc(cnc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM454542
(US10717746, Example 25 | US10717746, Example 84)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r| Show InChI InChI=1S/C22H28FN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588273
(CHEMBL5192311)Show SMILES COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1)C(=O)N1CCCC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50528817
(CHEMBL4462530 | US10717746, Example 14 | US2023041...)Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r| Show InChI InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | <4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant full length human N-terminal GST-fused CDK9 (1 to 372 residues)/His-tagged CyclinT1 (1 to 726 residues) expressed in baculo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01754 BindingDB Entry DOI: 10.7270/Q2M90D8V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047490
(CHEMBL3319216)Show SMILES CN1CCCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1 Show InChI InChI=1S/C24H28ClN5O4S2/c1-29-10-4-11-30(14-13-29)12-5-15-36(33,34)17-8-9-20-21(16-17)35-24(26-20)28-23(32)27-22(31)18-6-2-3-7-19(18)25/h2-3,6-9,16H,4-5,10-15H2,1H3,(H2,26,27,28,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047484
(CHEMBL3319218)Show SMILES CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(ccc4Cl)C#C)sc3c2)CC1 Show InChI InChI=1S/C25H26ClN5O4S2/c1-3-17-5-7-20(26)19(15-17)23(32)28-24(33)29-25-27-21-8-6-18(16-22(21)36-25)37(34,35)14-4-9-31-12-10-30(2)11-13-31/h1,5-8,15-16H,4,9-14H2,2H3,(H2,27,28,29,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM167534
(US9073922, 18 | US9796708, Example 18)Show InChI InChI=1S/C19H20FN3O/c1-24-18-10-13(20)2-3-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-3,6,9-12,21H,4-5,7-8H2,1H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588274
(CHEMBL5195947)Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50588264
(CHEMBL5207871)Show SMILES CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01249 BindingDB Entry DOI: 10.7270/Q2F193PM |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047420
(CHEMBL3319405)Show SMILES CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(ccc3Cl)N3CCOCC3)sc2c1 Show InChI InChI=1S/C25H28ClN5O5S2/c1-30-8-6-17(7-9-30)38(34,35)18-3-5-21-22(15-18)37-25(27-21)29-24(33)28-23(32)19-14-16(2-4-20(19)26)31-10-12-36-13-11-31/h2-5,14-15,17H,6-13H2,1H3,(H2,27,28,29,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50047689
(CHEMBL3319408)Show SMILES CN1CCc2cc(Cl)c(cc12)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1 Show InChI InChI=1S/C24H26ClN5O4S2/c1-29-8-6-15(7-9-29)36(33,34)16-3-4-19-21(12-16)35-24(26-19)28-23(32)27-22(31)17-13-20-14(11-18(17)25)5-10-30(20)2/h3-4,11-13,15H,5-10H2,1-2H3,(H2,26,27,28,31,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of [125I]human ghrelin from human GHS-R1a expressed in HEK cell membranes after 60 mins by gamma counting method |
J Med Chem 57: 6128-40 (2014)
Article DOI: 10.1021/jm500610n BindingDB Entry DOI: 10.7270/Q279469X |
More data for this Ligand-Target Pair | |