Found 421 hits with Last Name = 'kumar' and Initial = 'ns' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001092
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H45N5O7S2/c1-18-13-21(39)14-19(2)22(18)16-23(34)28(41)37-26-30(43)35-17-25(40)36-24(15-20-11-9-8-10-12-20)29(42)38-27(31(44)45-7)33(5,6)47-46-32(26,3)4/h8-14,23-24,26-27,39H,15-17,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)/t23-,24+,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001092
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H45N5O7S2/c1-18-13-21(39)14-19(2)22(18)16-23(34)28(41)37-26-30(43)35-17-25(40)36-24(15-20-11-9-8-10-12-20)29(42)38-27(31(44)45-7)33(5,6)47-46-32(26,3)4/h8-14,23-24,26-27,39H,15-17,34H2,1-7H3,(H,35,43)(H,36,40)(H,37,41)(H,38,42)/t23-,24+,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50592423
(CHEMBL4434865) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50592424
(CHEMBL4567314) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50592426
(CHEMBL4547253)Show SMILES Fc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001090
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C Show InChI InChI=1S/C31H41N5O7S2/c1-30(2)24(35-26(39)21(32)15-19-11-13-20(37)14-12-19)28(41)33-17-23(38)34-22(16-18-9-7-6-8-10-18)27(40)36-25(29(42)43-5)31(3,4)45-44-30/h6-14,21-22,24-25,37H,15-17,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t21-,22+,24+,25+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50592427
(CHEMBL4444356)Show SMILES Nc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50064947
(CHEMBL76895 | N-(1-Benzyl-piperidin-4-yl)-2-phenyl...)Show InChI InChI=1S/C20H24N2O/c23-20(15-17-7-3-1-4-8-17)21-19-11-13-22(14-12-19)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50592424
(CHEMBL4567314) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50592426
(CHEMBL4547253)Show SMILES Fc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001088
((DPDPE)13-[2-Amino-3-(4-hydroxy-phenyl)-propionyla...)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001090
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)Show SMILES COC(=O)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C Show InChI InChI=1S/C31H41N5O7S2/c1-30(2)24(35-26(39)21(32)15-19-11-13-20(37)14-12-19)28(41)33-17-23(38)34-22(16-18-9-7-6-8-10-18)27(40)36-25(29(42)43-5)31(3,4)45-44-30/h6-14,21-22,24-25,37H,15-17,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)/t21-,22+,24+,25+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50592425
(CHEMBL4435399)Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50059227
(1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine |...)Show InChI InChI=1S/C21H23N3/c1-3-7-17(8-4-1)16-24-13-11-19(12-14-24)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50592425
(CHEMBL4435399)Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001093
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)CCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C34H48N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-10,12-13,16-17,23,26-28,39H,11,14-15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Dissociation rate constant of compound for mutant T46S Escherichia coli dihydrofolate reductase |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001089
(13-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)\C=C/CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C |c:17| Show InChI InChI=1S/C34H46N4O6S2/c1-20-16-24(39)17-21(2)25(20)19-26(35)30(41)37-27-31(42)36-15-11-14-23(18-22-12-9-8-10-13-22)29(40)38-28(32(43)44-7)34(5,6)46-45-33(27,3)4/h8-14,16-17,23,26-28,39H,15,18-19,35H2,1-7H3,(H,36,42)(H,37,41)(H,38,40)/b14-11-/t23?,26-,27+,28+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001091
(10-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)OCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H46N4O7S2/c1-19-15-22(38)16-20(2)23(19)18-24(34)28(39)36-26-30(41)35-13-14-44-25(17-21-11-9-8-10-12-21)29(40)37-27(31(42)43-7)33(5,6)46-45-32(26,3)4/h8-12,15-16,24-27,38H,13-14,17-18,34H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)/t24-,25?,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement [3H]- DSLET from Opioid receptor delta 1 by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001091
(10-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)OCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H46N4O7S2/c1-19-15-22(38)16-20(2)23(19)18-24(34)28(39)36-26-30(41)35-13-14-44-25(17-21-11-9-8-10-12-21)29(40)37-27(31(42)43-7)33(5,6)46-45-32(26,3)4/h8-12,15-16,24-27,38H,13-14,17-18,34H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)/t24-,25?,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Dissociation rate constant of compound for mutant T46A Escherichia coli dihydrofolate reductase |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50592427
(CHEMBL4444356)Show SMILES Nc1ccc(CN2CCC(CC2)n2cc(Cc3ccc(Br)cc3)nn2)cc1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001091
(10-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)OCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H46N4O7S2/c1-19-15-22(38)16-20(2)23(19)18-24(34)28(39)36-26-30(41)35-13-14-44-25(17-21-11-9-8-10-12-21)29(40)37-27(31(42)43-7)33(5,6)46-45-32(26,3)4/h8-12,15-16,24-27,38H,13-14,17-18,34H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)/t24-,25?,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001091
(10-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-prop...)Show SMILES COC(=O)[C@H]1NC(=O)C(Cc2ccccc2)OCCNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(C)(C)SSC1(C)C Show InChI InChI=1S/C33H46N4O7S2/c1-19-15-22(38)16-20(2)23(19)18-24(34)28(39)36-26-30(41)35-13-14-44-25(17-21-11-9-8-10-12-21)29(40)37-27(31(42)43-7)33(5,6)46-45-32(26,3)4/h8-12,15-16,24-27,38H,13-14,17-18,34H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)/t24-,25?,26+,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50592423
(CHEMBL4434865) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001088
((DPDPE)13-[2-Amino-3-(4-hydroxy-phenyl)-propionyla...)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
G.D. Searle and Company
Curated by ChEMBL
| Assay Description Compound was evaluated for its binding affinity by displacement of [3H]- DAMPGO from opioid receptor mu by using opioid radioligand binding assay |
J Med Chem 35: 2928-38 (1992)
BindingDB Entry DOI: 10.7270/Q2ST7QF6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50592423
(CHEMBL4434865) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50592423
(CHEMBL4434865) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens) | BDBM50592423
(CHEMBL4434865) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.116851 BindingDB Entry DOI: 10.7270/Q2CR5ZC1 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001852
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-1-{2-[(3...)Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N1CCCCC1CNCCCc1ccccc1 Show InChI InChI=1S/C26H37N3O2/c1-19-15-23(30)16-20(2)24(19)17-25(27)26(31)29-14-7-6-12-22(29)18-28-13-8-11-21-9-4-3-5-10-21/h3-5,9-10,15-16,22,25,28,30H,6-8,11-14,17-18,27H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle and Company
Curated by ChEMBL
| Assay Description Binding ability towards opioid receptor mu expressed in homogenates of rat brain. |
J Med Chem 35: 223-33 (1992)
BindingDB Entry DOI: 10.7270/Q26T0KKD |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001850
((S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C23H31N3O3/c1-15-12-19(27)13-16(2)20(15)14-21(24)23(29)26-17(3)22(28)25-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,12-13,17,21,27H,7,10-11,14,24H2,1-3H3,(H,25,28)(H,26,29)/t17-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle and Company
Curated by ChEMBL
| Assay Description Binding ability towards opioid receptor mu expressed in homogenates of rat brain. |
J Med Chem 35: 223-33 (1992)
BindingDB Entry DOI: 10.7270/Q26T0KKD |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001848
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)Show SMILES C[C@H](CNCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C23H33N3O2/c1-16-12-20(27)13-17(2)21(16)14-22(24)23(28)26-18(3)15-25-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,25,27H,7,10-11,14-15,24H2,1-3H3,(H,26,28)/t18-,22?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle and Company
Curated by ChEMBL
| Assay Description Binding ability towards opioid receptor mu expressed in homogenates of rat brain. |
J Med Chem 35: 223-33 (1992)
BindingDB Entry DOI: 10.7270/Q26T0KKD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177621
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177626
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1 Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177628
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50001846
(2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[1-met...)Show SMILES C[C@H](COCCCc1ccccc1)NC(=O)C(N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C23H32N2O3/c1-16-12-20(26)13-17(2)21(16)14-22(24)23(27)25-18(3)15-28-11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-13,18,22,26H,7,10-11,14-15,24H2,1-3H3,(H,25,27)/t18-,22?/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
G. D. Searle and Company
Curated by ChEMBL
| Assay Description Binding ability towards opioid receptor mu expressed in homogenates of rat brain. |
J Med Chem 35: 223-33 (1992)
BindingDB Entry DOI: 10.7270/Q26T0KKD |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177626
(3-(benzo[d]oxazol-6-yl)-4-(3-(3-(5,6,7,8-tetrahydr...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2ncoc2c1 Show InChI InChI=1S/C24H25N5O4/c30-23(31)13-17(16-7-9-19-20(11-16)32-14-26-19)12-22-28-21(29-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)27-18/h6-9,11,14,17H,1-5,10,12-13H2,(H,25,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177629
(3-(2-cyclopropylthiazol-5-yl)-4-(3-(3-(5,6,7,8-tet...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc(s1)C1CC1 Show InChI InChI=1S/C23H27N5O3S/c29-21(30)12-16(18-13-25-23(32-18)15-6-7-15)11-20-27-19(28-31-20)5-1-4-17-9-8-14-3-2-10-24-22(14)26-17/h8-9,13,15-16H,1-7,10-12H2,(H,24,26)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177621
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O5S/c32-26(33)15-19(18-4-5-21-22(13-18)35-17-34-21)14-25-29-23(30-36-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-37-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177618
(3-(2,3-dihydrobenzofuran-6-yl)-4-(3-(3-(5,6,7,8-te...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H28N4O4/c30-24(31)15-19(18-7-6-16-10-12-32-21(16)13-18)14-23-28-22(29-33-23)5-1-4-20-9-8-17-3-2-11-26-25(17)27-20/h6-9,13,19H,1-5,10-12,14-15H2,(H,26,27)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177628
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(3-(5,6,7,8-...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H26N4O5/c29-23(30)13-17(16-7-9-19-20(11-16)32-14-31-19)12-22-27-21(28-33-22)5-1-4-18-8-6-15-3-2-10-25-24(15)26-18/h6-9,11,17H,1-5,10,12-14H2,(H,25,26)(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177636
(3-(quinolin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H27N5O3/c32-25(33)15-19(20-13-18-5-1-2-8-22(18)28-16-20)14-24-30-23(31-34-24)9-3-7-21-11-10-17-6-4-12-27-26(17)29-21/h1-2,5,8,10-11,13,16,19H,3-4,6-7,9,12,14-15H2,(H,27,29)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177616
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-morpho...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O6/c32-26(33)15-19(18-4-5-21-22(13-18)36-17-35-21)14-25-29-23(30-37-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-34-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177622
(3-(pyridin-3-yl)-4-(3-(3-(5,6,7,8-tetrahydro-1,8-n...)Show SMILES OC(=O)CC(Cc1nc(CCCc2ccc3CCCNc3n2)no1)c1cccnc1 Show InChI InChI=1S/C22H25N5O3/c28-21(29)13-17(16-5-2-10-23-14-16)12-20-26-19(27-30-20)7-1-6-18-9-8-15-4-3-11-24-22(15)25-18/h2,5,8-10,14,17H,1,3-4,6-7,11-13H2,(H,24,25)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Integrin alpha-V/beta-3
(Homo sapiens (Human)) | BDBM50177616
((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-morpho...)Show SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCOCC2)no1)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H31N5O6/c32-26(33)15-19(18-4-5-21-22(13-18)36-17-35-21)14-25-29-23(30-37-25)3-1-2-7-27-24-16-20(6-8-28-24)31-9-11-34-12-10-31/h4-6,8,13,16,19H,1-3,7,9-12,14-15,17H2,(H,27,28)(H,32,33)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Integrin alphav-beta3 receptor by SPRA assay |
Bioorg Med Chem Lett 16: 839-44 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.008 BindingDB Entry DOI: 10.7270/Q28K78NF |
More data for this Ligand-Target Pair | |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM50125433
(1-[2-(4-Benzyl-phenoxy)-ethyl]-1H-imidazo[4,5-b]py...)Show InChI InChI=1S/C22H18N4O/c23-15-19-8-11-21-22(25-19)24-16-26(21)12-13-27-20-9-6-18(7-10-20)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description In vitro inhibition of recombinant human leukotriene A4 hydrolase. |
Bioorg Med Chem Lett 13: 1137-9 (2003)
BindingDB Entry DOI: 10.7270/Q2891587 |
More data for this Ligand-Target Pair | |