Found 1569 hits with Last Name = 'yuan' and Initial = 'c' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50244020
(4'-[1-({2-[Cyanomethyl-(3,4-dichloro-phenyl)-amino...)Show SMILES CN(C(CN1CCCC1)c1ccc(cc1)-c1cccc(c1)C(N)=O)C(=O)CN(CC#N)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H31Cl2N5O2/c1-35(29(38)20-37(16-13-33)25-11-12-26(31)27(32)18-25)28(19-36-14-2-3-15-36)22-9-7-21(8-10-22)23-5-4-6-24(17-23)30(34)39/h4-12,17-18,28H,2-3,14-16,19-20H2,1H3,(H2,34,39) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity to human urotensin2 receptor |
Bioorg Med Chem Lett 18: 3716-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.058
BindingDB Entry DOI: 10.7270/Q2RN37NJ |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50463294
(CHEMBL4249256)Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1C(=O)c1ccccc1 Show InChI InChI=1S/C31H33NO4/c1-34-23-11-10-21-16-24-29-12-13-31(35-2,22(17-29)26(33)20-6-4-3-5-7-20)28-30(29,25(21)27(23)36-28)14-15-32(24)18-19-8-9-19/h3-7,10-13,19,22,24,28H,8-9,14-18H2,1-2H3/t22-,24-,28-,29-,30+,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis |
Bioorg Med Chem 26: 4254-4263 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GZJ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50463297
(CHEMBL4246433)Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis |
Bioorg Med Chem 26: 4254-4263 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GZJ |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377220
(CHEMBL255509)Show SMILES Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl Show InChI InChI=1S/C26H29Cl2N3O3/c27-20-13-22-24(14-21(20)28)34-17-26(33)31(22)16-25(32)30-12-6-9-19(18-7-2-1-3-8-18)23(30)15-29-10-4-5-11-29/h1-3,7-8,13-14,19,23H,4-6,9-12,15-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
Bradykinin B1 receptor
(Homo sapiens (Human)) | BDBM50209744
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377218
(CHEMBL257171)Show SMILES Cc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C Show InChI InChI=1S/C28H35N3O3/c1-20-15-24-26(16-21(20)2)34-19-28(33)31(24)18-27(32)30-14-8-11-23(22-9-4-3-5-10-22)25(30)17-29-12-6-7-13-29/h3-5,9-10,15-16,23,25H,6-8,11-14,17-19H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | Reactome pathway
UniProtKB/SwissProt
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CHEBI
CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
| Assay Description
The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe... |
Chem Biol Drug Des 88: 599-607 (2016)
Article DOI: 10.1111/cbdd.12796
BindingDB Entry DOI: 10.7270/Q2QF8RQ5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50463297
(CHEMBL4246433)Show SMILES COc1ccc(cc1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis |
Bioorg Med Chem 26: 4254-4263 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GZJ |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377217
(CHEMBL256989)Show SMILES Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1Cl Show InChI InChI=1S/C26H28Cl2N4O2/c27-20-13-22-23(14-21(20)28)32(25(33)15-29-22)17-26(34)31-12-6-9-19(18-7-2-1-3-8-18)24(31)16-30-10-4-5-11-30/h1-3,7-8,13-15,19,24H,4-6,9-12,16-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
Bradykinin B1 receptor
(Homo sapiens (Human)) | BDBM50322858
((R)-3-phenyl-N-((R)-6-(3-(pyrrolidin-1-yl)prop-1-e...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCCc2cc(ccc12)C(=C)CN1CCCC1)c1ccccc1 Show InChI InChI=1S/C33H36F3N3O3S/c1-23(22-39-17-5-6-18-39)25-15-16-29-26(19-25)11-7-14-30(29)37-32(40)21-31(24-9-3-2-4-10-24)38-43(41,42)28-13-8-12-27(20-28)33(34,35)36/h2-4,8-10,12-13,15-16,19-20,30-31,38H,1,5-7,11,14,17-18,21-22H2,(H,37,40)/t30-,31-/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]Lys-desArg9-BK from human bradykinin B1 receptor |
Bioorg Med Chem Lett 20: 4593-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.010
BindingDB Entry DOI: 10.7270/Q25Q4W88 |
More data for this
Ligand-Target Pair | |
Bradykinin B1 receptor
(Homo sapiens (Human)) | BDBM50203200
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells |
J Med Chem 50: 2200-12 (2007)
Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50083761
(CHEMBL87429 | [3-Oxo-8-[3-(pyridin-2-ylamino)-prop...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30)/t16-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3) |
J Med Chem 43: 22-6 (2000)
Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377215
(CHEMBL257415)Show SMILES Cc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2cc1C Show InChI InChI=1S/C28H34N4O2/c1-20-15-24-25(16-21(20)2)32(27(33)17-29-24)19-28(34)31-14-8-11-23(22-9-4-3-5-10-22)26(31)18-30-12-6-7-13-30/h3-5,9-10,15-17,23,26H,6-8,11-14,18-19H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
Reactome pathway
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CHEBI
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
| Assay Description
The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe... |
Chem Biol Drug Des 88: 599-607 (2016)
Article DOI: 10.1111/cbdd.12796
BindingDB Entry DOI: 10.7270/Q2QF8RQ5 |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377227
(CHEMBL255462)Show SMILES Clc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1 Show InChI InChI=1S/C25H28ClN3O2S/c26-19-10-11-23-21(15-19)29(25(31)32-23)17-24(30)28-14-6-9-20(18-7-2-1-3-8-18)22(28)16-27-12-4-5-13-27/h1-3,7-8,10-11,15,20,22H,4-6,9,12-14,16-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50083763
(CHEMBL86992 | [(S)-8-[2-(6-Methylamino-pyridin-2-y...)Show SMILES CNc1cccc(CCOc2ccc3C[C@@H](CC(O)=O)C(=O)N(CC(F)(F)F)Cc3c2)n1 Show InChI InChI=1S/C22H24F3N3O4/c1-26-19-4-2-3-17(27-19)7-8-32-18-6-5-14-9-15(11-20(29)30)21(31)28(12-16(14)10-18)13-22(23,24)25/h2-6,10,15H,7-9,11-13H2,1H3,(H,26,27)(H,29,30)/t15-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3) |
J Med Chem 43: 22-6 (2000)
Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50083764
(CHEMBL421533 | [3-Oxo-8-[3-(pyridin-2-ylamino)-pro...)Show SMILES OC(=O)CC1Cc2ccc(OCCCNc3ccccn3)cc2CN(CC(F)(F)F)C1=O Show InChI InChI=1S/C22H24F3N3O4/c23-22(24,25)14-28-13-17-11-18(32-9-3-8-27-19-4-1-2-7-26-19)6-5-15(17)10-16(21(28)31)12-20(29)30/h1-2,4-7,11,16H,3,8-10,12-14H2,(H,26,27)(H,29,30) | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3) |
J Med Chem 43: 22-6 (2000)
Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50054826
(CHEMBL144474 | [7-([4,4']Bipiperidinyl-1-carbonyl)...)Show SMILES OC(=O)CC1Nc2ccc(cc2CN(CCc2ccccc2)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C30H38N4O4/c35-28(36)19-27-30(38)34(15-10-21-4-2-1-3-5-21)20-25-18-24(6-7-26(25)32-27)29(37)33-16-11-23(12-17-33)22-8-13-31-14-9-22/h1-7,18,22-23,27,31-32H,8-17,19-20H2,(H,35,36) | PDB
Reactome pathway
KEGG
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antibodypedia
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets |
J Med Chem 39: 4867-70 (1997)
Article DOI: 10.1021/jm960558a
BindingDB Entry DOI: 10.7270/Q2GH9H16 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50078697
(CHEMBL54138 | {(S)-7-[2-(1H-Imidazol-2-ylamino)-et...)Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1ncc[nH]1 Show InChI InChI=1S/C18H22N6O4/c1-24-10-12-8-11(16(27)19-4-5-20-18-21-6-7-22-18)2-3-13(12)23-14(17(24)28)9-15(25)26/h2-3,6-8,14,23H,4-5,9-10H2,1H3,(H,19,27)(H,25,26)(H2,20,21,22)/t14-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity towards human Vitronectin receptor. |
Bioorg Med Chem Lett 9: 1801-6 (1999)
Article DOI: 10.1016/s0960-894x(99)00282-6
BindingDB Entry DOI: 10.7270/Q2TT4Q4B |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50054827
(CHEMBL85094 | SB-208651 | {8-[(4-Carbamimidoyl-phe...)Show SMILES CN(C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Nc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H29N5O4/c1-32(22-11-9-19(10-12-22)26(29)30)27(36)20-7-8-21-17-33(14-13-18-5-3-2-4-6-18)28(37)24(16-25(34)35)31-23(21)15-20/h2-12,15,24,31H,13-14,16-17H2,1H3,(H3,29,30)(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
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PC sid
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PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets |
J Med Chem 39: 4867-70 (1997)
Article DOI: 10.1021/jm960558a
BindingDB Entry DOI: 10.7270/Q2GH9H16 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072493
(CHEMBL108490 | [(S)-7-[(1H-Benzoimidazol-2-ylmethy...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCC(C)(C)C)Cc2c1 Show InChI InChI=1S/C27H33N5O4/c1-27(2,3)11-12-32-15-18-13-17(9-10-19(18)28-22(26(32)36)14-24(33)34)25(35)31(4)16-23-29-20-7-5-6-8-21(20)30-23/h5-10,13,22,28H,11-12,14-16H2,1-4H3,(H,29,30)(H,33,34)/t22-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 receptor |
Bioorg Med Chem Lett 8: 3165-70 (1999)
Article DOI: 10.1016/s0960-894x(98)00555-1
BindingDB Entry DOI: 10.7270/Q2NG4PSF |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM86180
(CAS_87075-17-0 | NSC_5018 | SCH 23390 | SCH23390 |...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEBI
PC cid
PC sid
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PubMed
| 1.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
| Assay Description
The transfection of plasmid and membrane preparations was conducted as described in our previous report, with 0.7 nm [3H] SCH23390 (D1R) or [3H]Spipe... |
Chem Biol Drug Des 88: 599-607 (2016)
Article DOI: 10.1111/cbdd.12796
BindingDB Entry DOI: 10.7270/Q2QF8RQ5 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072492
(CHEMBL419180 | {(S)-7-[(1H-Benzoimidazol-2-ylmethy...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(Cc3ccccc3)Cc2c1 Show InChI InChI=1S/C28H27N5O4/c1-32(17-25-30-22-9-5-6-10-23(22)31-25)27(36)19-11-12-21-20(13-19)16-33(15-18-7-3-2-4-8-18)28(37)24(29-21)14-26(34)35/h2-13,24,29H,14-17H2,1H3,(H,30,31)(H,34,35)/t24-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates |
Bioorg Med Chem Lett 8: 3165-70 (1999)
Article DOI: 10.1016/s0960-894x(98)00555-1
BindingDB Entry DOI: 10.7270/Q2NG4PSF |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50083762
(CHEMBL314022 | {2-Methyl-3-oxo-8-[3-(pyridin-2-yla...)Show InChI InChI=1S/C21H25N3O4/c1-24-14-17-12-18(28-10-4-9-23-19-5-2-3-8-22-19)7-6-15(17)11-16(21(24)27)13-20(25)26/h2-3,5-8,12,16H,4,9-11,13-14H2,1H3,(H,22,23)(H,25,26) | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3) |
J Med Chem 43: 22-6 (2000)
Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50222499
(CHEMBL401153 | N-(3-chlorophenyl)-2-(pyridin-4-ylm...)Show InChI InChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC cid
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UniChem
Patents
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated-Kdr after 30 mins |
Bioorg Med Chem Lett 17: 6003-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50222500
(CHEMBL250482 | N-(4-cyclohexylphenyl)-2-(pyridin-4...)Show InChI InChI=1S/C24H26N4O/c29-24(28-21-10-8-20(9-11-21)19-5-2-1-3-6-19)22-7-4-14-26-23(22)27-17-18-12-15-25-16-13-18/h4,7-16,19H,1-3,5-6,17H2,(H,26,27)(H,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description
Inhibition of phosphorylated-Kdr after 30 mins |
Bioorg Med Chem Lett 17: 6003-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.077
BindingDB Entry DOI: 10.7270/Q27P8Z3N |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072468
(CHEMBL108685 | {(S)-4-Methyl-7-[methyl-(7-methyl-1...)Show SMILES CN(Cc1nc2c(C)cccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C23H25N5O4/c1-13-5-4-6-17-21(13)26-19(25-17)12-28(3)22(31)14-7-8-16-15(9-14)11-27(2)23(32)18(24-16)10-20(29)30/h4-9,18,24H,10-12H2,1-3H3,(H,25,26)(H,29,30)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates |
Bioorg Med Chem Lett 8: 3165-70 (1999)
Article DOI: 10.1016/s0960-894x(98)00555-1
BindingDB Entry DOI: 10.7270/Q2NG4PSF |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50059133
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity evaluated against vitronectin receptor (alphaV-beta3) receptor |
Bioorg Med Chem Lett 8: 3165-70 (1999)
Article DOI: 10.1016/s0960-894x(98)00555-1
BindingDB Entry DOI: 10.7270/Q2NG4PSF |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377224
(CHEMBL257767)Show SMILES Clc1ccc(cc1Cl)N(CC#N)CC(=O)N1CCCC(C1CN1CCCC1)c1ccccc1 Show InChI InChI=1S/C26H30Cl2N4O/c27-23-11-10-21(17-24(23)28)31(16-12-29)19-26(33)32-15-6-9-22(20-7-2-1-3-8-20)25(32)18-30-13-4-5-14-30/h1-3,7-8,10-11,17,22,25H,4-6,9,13-16,18-19H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
Urotensin II receptor
(Homo sapiens (Human)) | BDBM50377219
(CHEMBL402520)Show SMILES Clc1cc2OCC(=O)N(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1Cl Show InChI InChI=1S/C26H29Cl2N3O4/c27-20-13-22-24(14-21(20)28)35-17-26(33)31(22)16-25(32)30-8-4-7-19(18-5-2-1-3-6-18)23(30)15-29-9-11-34-12-10-29/h1-3,5-6,13-14,19,23H,4,7-12,15-17H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 3500-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.027
BindingDB Entry DOI: 10.7270/Q29024Q7 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50059133
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
Article DOI: 10.1016/s0960-894x(98)00556-3
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50059133
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity for Vitronectin receptor (alpha V beta 3) |
J Med Chem 43: 22-6 (2000)
Article DOI: 10.1021/jm990446u
BindingDB Entry DOI: 10.7270/Q290230D |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50078710
(CHEMBL298782 | {(S)-7-[2-(6-Amino-pyridin-2-ylamin...)Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCCNc1cccc(N)n1 Show InChI InChI=1S/C20H24N6O4/c1-26-11-13-9-12(5-6-14(13)24-15(20(26)30)10-18(27)28)19(29)23-8-7-22-17-4-2-3-16(21)25-17/h2-6,9,15,24H,7-8,10-11H2,1H3,(H,23,29)(H,27,28)(H3,21,22,25)/t15-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity towards human Vitronectin receptor. |
Bioorg Med Chem Lett 9: 1801-6 (1999)
Article DOI: 10.1016/s0960-894x(99)00282-6
BindingDB Entry DOI: 10.7270/Q2TT4Q4B |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50078696
(CHEMBL52026 | {(S)-7-[(2-Amino-3H-imidazol-4-ylmet...)Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)NCc1cnc(N)[nH]1 Show InChI InChI=1S/C17H20N6O4/c1-23-8-10-4-9(15(26)19-6-11-7-20-17(18)21-11)2-3-12(10)22-13(16(23)27)5-14(24)25/h2-4,7,13,22H,5-6,8H2,1H3,(H,19,26)(H,24,25)(H3,18,20,21)/t13-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity towards human alpha IIb beta3 integrin by [3H]-RGD peptide displacement. |
Bioorg Med Chem Lett 9: 1801-6 (1999)
Article DOI: 10.1016/s0960-894x(99)00282-6
BindingDB Entry DOI: 10.7270/Q2TT4Q4B |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50059133
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Binding affinity towards human Vitronectin receptor. |
Bioorg Med Chem Lett 9: 1801-6 (1999)
Article DOI: 10.1016/s0960-894x(99)00282-6
BindingDB Entry DOI: 10.7270/Q2TT4Q4B |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50059133
(CHEMBL50106 | SB-223245 | {(S)-7-[(1H-Benzoimidazo...)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H23N5O4/c1-26-11-14-9-13(7-8-15(14)23-18(22(26)31)10-20(28)29)21(30)27(2)12-19-24-16-5-3-4-6-17(16)25-19/h3-9,18,23H,10-12H2,1-2H3,(H,24,25)(H,28,29)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Affinity for vitronectin receptor, integrin alphaV-beta3 |
J Med Chem 40: 2289-92 (1997)
Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50463293
(CHEMBL4242847)Show SMILES COc1cccc(c1)C(O)[C@@]1(C)C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4OC Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis |
Bioorg Med Chem 26: 4254-4263 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GZJ |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072483
(CHEMBL110517 | {(S)-7-[Bis-(1H-benzoimidazol-2-ylm...)Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C29H27N7O4/c1-35-14-18-12-17(10-11-19(18)30-24(29(35)40)13-27(37)38)28(39)36(15-25-31-20-6-2-3-7-21(20)32-25)16-26-33-22-8-4-5-9-23(22)34-26/h2-12,24,30H,13-16H2,1H3,(H,31,32)(H,33,34)(H,37,38)/t24-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Effect against adhesion of HEK 293 cells transfected with human alpha-v beta-3 to vitronectin coated plates |
Bioorg Med Chem Lett 8: 3165-70 (1999)
Article DOI: 10.1016/s0960-894x(98)00555-1
BindingDB Entry DOI: 10.7270/Q2NG4PSF |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072516
(CHEMBL419374 | {(S)-4-(3,3-Dimethyl-butyl)-7-[(1H-...)Show SMILES CN(Cc1nc2ncccc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(CCC(C)(C)C)Cc2c1 Show InChI InChI=1S/C26H32N6O4/c1-26(2,3)9-11-32-14-17-12-16(7-8-18(17)28-20(25(32)36)13-22(33)34)24(35)31(4)15-21-29-19-6-5-10-27-23(19)30-21/h5-8,10,12,20,28H,9,11,13-15H2,1-4H3,(H,33,34)(H,27,29,30)/t20-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
Article DOI: 10.1016/s0960-894x(98)00556-3
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50054830
(CHEMBL356986 | [(R)-7-([4,4']Bipiperidinyl-1-carbo...)Show SMILES CN1Cc2cc(ccc2N[C@H](CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets |
J Med Chem 39: 4867-70 (1997)
Article DOI: 10.1021/jm960558a
BindingDB Entry DOI: 10.7270/Q2GH9H16 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB5
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for alphav/beta 3 vitronectin receptor in HEK cells |
Bioorg Med Chem Lett 13: 1483-6 (2003)
Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072473
(CHEMBL110413 | {(S)-7-[(5,6-Difluoro-1H-benzoimida...)Show SMILES CN(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)c1ccc2N[C@@H](CC(O)=O)C(=O)N(C)Cc2c1 Show InChI InChI=1S/C22H21F2N5O4/c1-28-9-12-5-11(3-4-15(12)25-18(22(28)33)8-20(30)31)21(32)29(2)10-19-26-16-6-13(23)14(24)7-17(16)27-19/h3-7,18,25H,8-10H2,1-2H3,(H,26,27)(H,30,31)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Affinity for alphaIIb-beta3 receptor |
Bioorg Med Chem Lett 8: 3165-70 (1999)
Article DOI: 10.1016/s0960-894x(98)00555-1
BindingDB Entry DOI: 10.7270/Q2NG4PSF |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50072504
(CHEMBL321648 | [(S)-7-[(1H-Imidazo[4,5-b]pyridin-2...)Show SMILES COCCN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N(C)Cc1nc2ncccc2[nH]1 Show InChI InChI=1S/C23H26N6O5/c1-28(13-19-26-17-4-3-7-24-21(17)27-19)22(32)14-5-6-16-15(10-14)12-29(8-9-34-2)23(33)18(25-16)11-20(30)31/h3-7,10,18,25H,8-9,11-13H2,1-2H3,(H,30,31)(H,24,26,27)/t18-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Antagonistic activity for human vitronectin receptor (alphaV-beta3) from platelets |
Bioorg Med Chem Lett 8: 3171-6 (1999)
Article DOI: 10.1016/s0960-894x(98)00556-3
BindingDB Entry DOI: 10.7270/Q2B85994 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50126595
(3-Phenyl-4-{4-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...)Show SMILES OC(=O)C[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)c1ccccc1 Show InChI InChI=1S/C26H28N2O3/c29-25(30)18-22(20-5-2-1-3-6-20)17-19-8-12-24(13-9-19)31-16-14-23-11-10-21-7-4-15-27-26(21)28-23/h1-3,5-6,8-13,22H,4,7,14-18H2,(H,27,28)(H,29,30)/t22-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta5 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
ITGAV/ITGB5
(Homo sapiens (Human)) | BDBM50078714
(CHEMBL288493 | SB-265123 | {(S)-3-[3-(Pyridin-2-yl...)Show SMILES OC(=O)C[C@@H]1Cc2ccc(OCCCNc3ccccn3)cc2Cc2ccccc12 Show InChI InChI=1S/C25H26N2O3/c28-25(29)17-21-14-18-9-10-22(16-20(18)15-19-6-1-2-7-23(19)21)30-13-5-12-27-24-8-3-4-11-26-24/h1-4,6-11,16,21H,5,12-15,17H2,(H,26,27)(H,28,29)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for alphaV-beta3 vitronectin receptor |
Bioorg Med Chem Lett 13: 1483-6 (2003)
Article DOI: 10.1016/s0960-894x(03)00102-1
BindingDB Entry DOI: 10.7270/Q2FN15K8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50463284
(CHEMBL4245818)Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@]1(C)CO)OC Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis |
Bioorg Med Chem 26: 4254-4263 (2018)
BindingDB Entry DOI: 10.7270/Q28W3GZJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50036088
(CHEMBL18734 | [(6S,13S)-13-(3-Guanidino-propyl)-14...)Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets |
J Med Chem 39: 4867-70 (1997)
Article DOI: 10.1021/jm960558a
BindingDB Entry DOI: 10.7270/Q2GH9H16 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50036088
(CHEMBL18734 | [(6S,13S)-13-(3-Guanidino-propyl)-14...)Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Affinity for platelet fibrinogen receptor, integrin alpha IIb/beta3 |
J Med Chem 40: 2289-92 (1997)
Article DOI: 10.1021/jm970205r
BindingDB Entry DOI: 10.7270/Q22V2F74 |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50036089
(CHEMBL18288 | [8-(4-Carbamimidoyl-phenylcarbamoyl)...)Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)C(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets |
J Med Chem 39: 4867-70 (1997)
Article DOI: 10.1021/jm960558a
BindingDB Entry DOI: 10.7270/Q2GH9H16 |
More data for this
Ligand-Target Pair | |
11-beta-hydroxysteroid dehydrogenase 1
(Homo sapiens (Human)) | BDBM13746
(2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5...)Show InChI InChI=1S/C15H19FN2OS/c1-9(2)15(4)13(19)18-14(20-15)17-10(3)11-7-5-6-8-12(11)16/h5-10H,1-4H3,(H,17,18,19)/t10-,15?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | -48.2 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Amgen Inc
| Assay Description
Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... |
J Med Chem 50: 429-32 (2007)
Article DOI: 10.1021/jm061214f
BindingDB Entry DOI: 10.7270/Q20Z71JH |
More data for this
Ligand-Target Pair | |
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