Found 65 hits with Last Name = 'bibic' and Initial = 'l' 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 |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50414283
(CHEMBL562308)Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50414283
(CHEMBL562308)Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-evoked current by patch clamp assay |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-evoked current by patch clamp assay |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399207
(CHEMBL2180179)Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399207
(CHEMBL2180179)Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50506159
(CHEMBL1532400)Show InChI InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399183
(CHEMBL2180160)Show InChI InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399207
(CHEMBL2180179)Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399207
(CHEMBL2180179)Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in 1321N1 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by Fura-2... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399207
(CHEMBL2180179)Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 4
(Homo sapiens (Human)) | BDBM50399207
(CHEMBL2180179)Show SMILES Brc1cccc(c1)C1=NCC(=O)Nc2c1oc1ccccc21 |t:8| Show InChI InChI=1S/C17H11BrN2O2/c18-11-5-3-4-10(8-11)15-17-16(20-14(21)9-19-15)12-6-1-2-7-13(12)22-17/h1-8H,9H2,(H,20,21) | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X4R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50414283
(CHEMBL562308)Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
P2X purinoceptor 7
(Homo sapiens (Human)) | BDBM50414283
(CHEMBL562308)Show SMILES OCCNCCNc1ccc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2n1 |TLB:17:16:19.18.23:21,23:18:25:22.21.24,23:22:25:19.18.17,15:16:19.18.23:21,THB:17:18:21:25.16.24,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C25H34N4O2/c30-9-8-26-6-7-27-23-5-4-20-21(28-23)2-1-3-22(20)29-24(31)16-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,26,30H,6-16H2,(H,27,28)(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Antagonist activity at human P2X7R transfected in HEK293 cells assessed as inhibition of ATP-mediated calcium influx measured after 10 mins by YOPRO-... |
J Nat Prod 82: 2559-2567 (2019)
Article DOI: 10.1021/acs.jnatprod.9b00410 BindingDB Entry DOI: 10.7270/Q2JW8JBP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536275
(CHEMBL4520203)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C98H150N24O26S4/c1-5-55(3)83-95(145)113-63(35-37-73(99)125)87(137)115-67(49-75(101)127)89(139)117-69(53-151-149-45-39-81(133)109-65(91(141)119-83)47-57-27-31-59(123)32-28-57)97(147)121-43-19-23-71(121)93(143)111-61(85(135)107-51-77(103)129)21-15-17-41-105-79(131)25-13-11-9-7-8-10-12-14-26-80(132)106-42-18-16-22-62(86(136)108-52-78(104)130)112-94(144)72-24-20-44-122(72)98(148)70-54-152-150-46-40-82(134)110-66(48-58-29-33-60(124)34-30-58)92(142)120-84(56(4)6-2)96(146)114-64(36-38-74(100)126)88(138)116-68(50-76(102)128)90(140)118-70/h27-34,55-56,61-72,83-84,123-124H,5-26,35-54H2,1-4H3,(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H,105,131)(H,106,132)(H,107,135)(H,108,136)(H,109,133)(H,110,134)(H,111,143)(H,112,144)(H,113,145)(H,114,146)(H,115,137)(H,116,138)(H,117,139)(H,118,140)(H,119,141)(H,120,142)/t55-,56-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,83-,84-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536276
(CHEMBL4564152)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-3-23(2)36-42(66)51-27(13-14-32(45)57)38(62)52-29(20-33(46)58)39(63)53-30(22-69-68-18-15-35(60)49-28(40(64)54-36)19-24-9-11-25(56)12-10-24)43(67)55-17-6-8-31(55)41(65)50-26(7-4-5-16-44)37(61)48-21-34(47)59/h9-12,23,26-31,36,56H,3-8,13-22,44H2,1-2H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.265 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Gga... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536277
(CHEMBL4541104)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C96H146N24O26S4/c1-5-53(3)81-93(143)111-61(33-35-71(97)123)85(135)113-65(47-73(99)125)87(137)115-67(51-149-147-43-37-79(131)107-63(89(139)117-81)45-55-25-29-57(121)30-26-55)95(145)119-41-17-21-69(119)91(141)109-59(83(133)105-49-75(101)127)19-13-15-39-103-77(129)23-11-9-7-8-10-12-24-78(130)104-40-16-14-20-60(84(134)106-50-76(102)128)110-92(142)70-22-18-42-120(70)96(146)68-52-150-148-44-38-80(132)108-64(46-56-27-31-58(122)32-28-56)90(140)118-82(54(4)6-2)94(144)112-62(34-36-72(98)124)86(136)114-66(48-74(100)126)88(138)116-68/h25-32,53-54,59-70,81-82,121-122H,5-24,33-52H2,1-4H3,(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H,103,129)(H,104,130)(H,105,133)(H,106,134)(H,107,131)(H,108,132)(H,109,141)(H,110,142)(H,111,143)(H,112,144)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)(H,118,140)/t53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,81-,82-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor C47A mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 an... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536275
(CHEMBL4520203)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C98H150N24O26S4/c1-5-55(3)83-95(145)113-63(35-37-73(99)125)87(137)115-67(49-75(101)127)89(139)117-69(53-151-149-45-39-81(133)109-65(91(141)119-83)47-57-27-31-59(123)32-28-57)97(147)121-43-19-23-71(121)93(143)111-61(85(135)107-51-77(103)129)21-15-17-41-105-79(131)25-13-11-9-7-8-10-12-14-26-80(132)106-42-18-16-22-62(86(136)108-52-78(104)130)112-94(144)72-24-20-44-122(72)98(148)70-54-152-150-46-40-82(134)110-66(48-58-29-33-60(124)34-30-58)92(142)120-84(56(4)6-2)96(146)114-64(36-38-74(100)126)88(138)116-68(50-76(102)128)90(140)118-70/h27-34,55-56,61-72,83-84,123-124H,5-26,35-54H2,1-4H3,(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H,105,131)(H,106,132)(H,107,135)(H,108,136)(H,109,133)(H,110,134)(H,111,143)(H,112,144)(H,113,145)(H,114,146)(H,115,137)(H,116,138)(H,117,139)(H,118,140)(H,119,141)(H,120,142)/t55-,56-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,83-,84-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 182 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor V43A/C47A double mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagge... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536277
(CHEMBL4541104)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C96H146N24O26S4/c1-5-53(3)81-93(143)111-61(33-35-71(97)123)85(135)113-65(47-73(99)125)87(137)115-67(51-149-147-43-37-79(131)107-63(89(139)117-81)45-55-25-29-57(121)30-26-55)95(145)119-41-17-21-69(119)91(141)109-59(83(133)105-49-75(101)127)19-13-15-39-103-77(129)23-11-9-7-8-10-12-24-78(130)104-40-16-14-20-60(84(134)106-50-76(102)128)110-92(142)70-22-18-42-120(70)96(146)68-52-150-148-44-38-80(132)108-64(46-56-27-31-58(122)32-28-56)90(140)118-82(54(4)6-2)94(144)112-62(34-36-72(98)124)86(136)114-66(48-74(100)126)88(138)116-68/h25-32,53-54,59-70,81-82,121-122H,5-24,33-52H2,1-4H3,(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H,103,129)(H,104,130)(H,105,133)(H,106,134)(H,107,131)(H,108,132)(H,109,141)(H,110,142)(H,111,143)(H,112,144)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)(H,118,140)/t53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,81-,82-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00300 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Gga... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536277
(CHEMBL4541104)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C96H146N24O26S4/c1-5-53(3)81-93(143)111-61(33-35-71(97)123)85(135)113-65(47-73(99)125)87(137)115-67(51-149-147-43-37-79(131)107-63(89(139)117-81)45-55-25-29-57(121)30-26-55)95(145)119-41-17-21-69(119)91(141)109-59(83(133)105-49-75(101)127)19-13-15-39-103-77(129)23-11-9-7-8-10-12-24-78(130)104-40-16-14-20-60(84(134)106-50-76(102)128)110-92(142)70-22-18-42-120(70)96(146)68-52-150-148-44-38-80(132)108-64(46-56-27-31-58(122)32-28-56)90(140)118-82(54(4)6-2)94(144)112-62(34-36-72(98)124)86(136)114-66(48-74(100)126)88(138)116-68/h25-32,53-54,59-70,81-82,121-122H,5-24,33-52H2,1-4H3,(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H,103,129)(H,104,130)(H,105,133)(H,106,134)(H,107,131)(H,108,132)(H,109,141)(H,110,142)(H,111,143)(H,112,144)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)(H,118,140)/t53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,81-,82-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggam... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536278
(CHEMBL4520170)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C94H142N24O26S4/c1-5-51(3)79-91(141)109-59(31-33-69(95)121)83(133)111-63(45-71(97)123)85(135)113-65(49-147-145-41-35-77(129)105-61(87(137)115-79)43-53-23-27-55(119)28-24-53)93(143)117-39-15-19-67(117)89(139)107-57(81(131)103-47-73(99)125)17-11-13-37-101-75(127)21-9-7-8-10-22-76(128)102-38-14-12-18-58(82(132)104-48-74(100)126)108-90(140)68-20-16-40-118(68)94(144)66-50-148-146-42-36-78(130)106-62(44-54-25-29-56(120)30-26-54)88(138)116-80(52(4)6-2)92(142)110-60(32-34-70(96)122)84(134)112-64(46-72(98)124)86(136)114-66/h23-30,51-52,57-68,79-80,119-120H,5-22,31-50H2,1-4H3,(H2,95,121)(H2,96,122)(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H,101,127)(H,102,128)(H,103,131)(H,104,132)(H,105,129)(H,106,130)(H,107,139)(H,108,140)(H,109,141)(H,110,142)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,79-,80-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggam... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536278
(CHEMBL4520170)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C94H142N24O26S4/c1-5-51(3)79-91(141)109-59(31-33-69(95)121)83(133)111-63(45-71(97)123)85(135)113-65(49-147-145-41-35-77(129)105-61(87(137)115-79)43-53-23-27-55(119)28-24-53)93(143)117-39-15-19-67(117)89(139)107-57(81(131)103-47-73(99)125)17-11-13-37-101-75(127)21-9-7-8-10-22-76(128)102-38-14-12-18-58(82(132)104-48-74(100)126)108-90(140)68-20-16-40-118(68)94(144)66-50-148-146-42-36-78(130)106-62(44-54-25-29-56(120)30-26-54)88(138)116-80(52(4)6-2)92(142)110-60(32-34-70(96)122)84(134)112-64(46-72(98)124)86(136)114-66/h23-30,51-52,57-68,79-80,119-120H,5-22,31-50H2,1-4H3,(H2,95,121)(H2,96,122)(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H,101,127)(H,102,128)(H,103,131)(H,104,132)(H,105,129)(H,106,130)(H,107,139)(H,108,140)(H,109,141)(H,110,142)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,79-,80-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggam... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536276
(CHEMBL4564152)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-3-23(2)36-42(66)51-27(13-14-32(45)57)38(62)52-29(20-33(46)58)39(63)53-30(22-69-68-18-15-35(60)49-28(40(64)54-36)19-24-9-11-25(56)12-10-24)43(67)55-17-6-8-31(55)41(65)50-26(7-4-5-16-44)37(61)48-21-34(47)59/h9-12,23,26-31,36,56H,3-8,13-22,44H2,1-2H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 75 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggam... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536279
(CHEMBL4567752)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C100H154N24O26S4/c1-5-57(3)85-97(147)115-65(37-39-75(101)127)89(139)117-69(51-77(103)129)91(141)119-71(55-153-151-47-41-83(135)111-67(93(143)121-85)49-59-29-33-61(125)34-30-59)99(149)123-45-21-25-73(123)95(145)113-63(87(137)109-53-79(105)131)23-17-19-43-107-81(133)27-15-13-11-9-7-8-10-12-14-16-28-82(134)108-44-20-18-24-64(88(138)110-54-80(106)132)114-96(146)74-26-22-46-124(74)100(150)72-56-154-152-48-42-84(136)112-68(50-60-31-35-62(126)36-32-60)94(144)122-86(58(4)6-2)98(148)116-66(38-40-76(102)128)90(140)118-70(52-78(104)130)92(142)120-72/h29-36,57-58,63-74,85-86,125-126H,5-28,37-56H2,1-4H3,(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H2,105,131)(H2,106,132)(H,107,133)(H,108,134)(H,109,137)(H,110,138)(H,111,135)(H,112,136)(H,113,145)(H,114,146)(H,115,147)(H,116,148)(H,117,139)(H,118,140)(H,119,141)(H,120,142)(H,121,143)(H,122,144)/t57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536280
(CHEMBL4546103)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C92H138N24O26S4/c1-5-49(3)77-89(139)107-57(29-31-67(93)119)81(131)109-61(43-69(95)121)83(133)111-63(47-145-143-39-33-75(127)103-59(85(135)113-77)41-51-21-25-53(117)26-22-51)91(141)115-37-13-17-65(115)87(137)105-55(79(129)101-45-71(97)123)15-9-11-35-99-73(125)19-7-8-20-74(126)100-36-12-10-16-56(80(130)102-46-72(98)124)106-88(138)66-18-14-38-116(66)92(142)64-48-146-144-40-34-76(128)104-60(42-52-23-27-54(118)28-24-52)86(136)114-78(50(4)6-2)90(140)108-58(30-32-68(94)120)82(132)110-62(44-70(96)122)84(134)112-64/h21-28,49-50,55-66,77-78,117-118H,5-20,29-48H2,1-4H3,(H2,93,119)(H2,94,120)(H2,95,121)(H2,96,122)(H2,97,123)(H2,98,124)(H,99,125)(H,100,126)(H,101,129)(H,102,130)(H,103,127)(H,104,128)(H,105,137)(H,106,138)(H,107,139)(H,108,140)(H,109,131)(H,110,132)(H,111,133)(H,112,134)(H,113,135)(H,114,136)/t49-,50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,77-,78-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536281
(CHEMBL4532537)Show SMILES CCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C51H80N12O13S2/c1-4-6-7-8-9-15-42(68)55-23-11-10-13-33(45(70)56-28-41(54)67)58-49(74)38-14-12-24-63(38)51(76)37-29-78-77-25-22-43(69)57-35(26-31-16-18-32(64)19-17-31)48(73)62-44(30(3)5-2)50(75)59-34(20-21-39(52)65)46(71)60-36(27-40(53)66)47(72)61-37/h16-19,30,33-38,44,64H,4-15,20-29H2,1-3H3,(H2,52,65)(H2,53,66)(H2,54,67)(H,55,68)(H,56,70)(H,57,69)(H,58,74)(H,59,75)(H,60,71)(H,61,72)(H,62,73)/t30-,33-,34-,35-,36-,37-,38-,44-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536276
(CHEMBL4564152)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-3-23(2)36-42(66)51-27(13-14-32(45)57)38(62)52-29(20-33(46)58)39(63)53-30(22-69-68-18-15-35(60)49-28(40(64)54-36)19-24-9-11-25(56)12-10-24)43(67)55-17-6-8-31(55)41(65)50-26(7-4-5-16-44)37(61)48-21-34(47)59/h9-12,23,26-31,36,56H,3-8,13-22,44H2,1-2H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536280
(CHEMBL4546103)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C92H138N24O26S4/c1-5-49(3)77-89(139)107-57(29-31-67(93)119)81(131)109-61(43-69(95)121)83(133)111-63(47-145-143-39-33-75(127)103-59(85(135)113-77)41-51-21-25-53(117)26-22-51)91(141)115-37-13-17-65(115)87(137)105-55(79(129)101-45-71(97)123)15-9-11-35-99-73(125)19-7-8-20-74(126)100-36-12-10-16-56(80(130)102-46-72(98)124)106-88(138)66-18-14-38-116(66)92(142)64-48-146-144-40-34-76(128)104-60(42-52-23-27-54(118)28-24-52)86(136)114-78(50(4)6-2)90(140)108-58(30-32-68(94)120)82(132)110-62(44-70(96)122)84(134)112-64/h21-28,49-50,55-66,77-78,117-118H,5-20,29-48H2,1-4H3,(H2,93,119)(H2,94,120)(H2,95,121)(H2,96,122)(H2,97,123)(H2,98,124)(H,99,125)(H,100,126)(H,101,129)(H,102,130)(H,103,127)(H,104,128)(H,105,137)(H,106,138)(H,107,139)(H,108,140)(H,109,131)(H,110,132)(H,111,133)(H,112,134)(H,113,135)(H,114,136)/t49-,50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,77-,78-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor C47A mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 an... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536275
(CHEMBL4520203)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C98H150N24O26S4/c1-5-55(3)83-95(145)113-63(35-37-73(99)125)87(137)115-67(49-75(101)127)89(139)117-69(53-151-149-45-39-81(133)109-65(91(141)119-83)47-57-27-31-59(123)32-28-57)97(147)121-43-19-23-71(121)93(143)111-61(85(135)107-51-77(103)129)21-15-17-41-105-79(131)25-13-11-9-7-8-10-12-14-26-80(132)106-42-18-16-22-62(86(136)108-52-78(104)130)112-94(144)72-24-20-44-122(72)98(148)70-54-152-150-46-40-82(134)110-66(48-58-29-33-60(124)34-30-58)92(142)120-84(56(4)6-2)96(146)114-64(36-38-74(100)126)88(138)116-68(50-76(102)128)90(140)118-70/h27-34,55-56,61-72,83-84,123-124H,5-26,35-54H2,1-4H3,(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H,105,131)(H,106,132)(H,107,135)(H,108,136)(H,109,133)(H,110,134)(H,111,143)(H,112,144)(H,113,145)(H,114,146)(H,115,137)(H,116,138)(H,117,139)(H,118,140)(H,119,141)(H,120,142)/t55-,56-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,83-,84-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor C47A mutant high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GF... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536275
(CHEMBL4520203)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C98H150N24O26S4/c1-5-55(3)83-95(145)113-63(35-37-73(99)125)87(137)115-67(49-75(101)127)89(139)117-69(53-151-149-45-39-81(133)109-65(91(141)119-83)47-57-27-31-59(123)32-28-57)97(147)121-43-19-23-71(121)93(143)111-61(85(135)107-51-77(103)129)21-15-17-41-105-79(131)25-13-11-9-7-8-10-12-14-26-80(132)106-42-18-16-22-62(86(136)108-52-78(104)130)112-94(144)72-24-20-44-122(72)98(148)70-54-152-150-46-40-82(134)110-66(48-58-29-33-60(124)34-30-58)92(142)120-84(56(4)6-2)96(146)114-64(36-38-74(100)126)88(138)116-68(50-76(102)128)90(140)118-70/h27-34,55-56,61-72,83-84,123-124H,5-26,35-54H2,1-4H3,(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H,105,131)(H,106,132)(H,107,135)(H,108,136)(H,109,133)(H,110,134)(H,111,143)(H,112,144)(H,113,145)(H,114,146)(H,115,137)(H,116,138)(H,117,139)(H,118,140)(H,119,141)(H,120,142)/t55-,56-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,83-,84-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 135 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor C47A mutant low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536279
(CHEMBL4567752)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C100H154N24O26S4/c1-5-57(3)85-97(147)115-65(37-39-75(101)127)89(139)117-69(51-77(103)129)91(141)119-71(55-153-151-47-41-83(135)111-67(93(143)121-85)49-59-29-33-61(125)34-30-59)99(149)123-45-21-25-73(123)95(145)113-63(87(137)109-53-79(105)131)23-17-19-43-107-81(133)27-15-13-11-9-7-8-10-12-14-16-28-82(134)108-44-20-18-24-64(88(138)110-54-80(106)132)114-96(146)74-26-22-46-124(74)100(150)72-56-154-152-48-42-84(136)112-68(50-60-31-35-62(126)36-32-60)94(144)122-86(58(4)6-2)98(148)116-66(38-40-76(102)128)90(140)118-70(52-78(104)130)92(142)120-72/h29-36,57-58,63-74,85-86,125-126H,5-28,37-56H2,1-4H3,(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H2,105,131)(H2,106,132)(H,107,133)(H,108,134)(H,109,137)(H,110,138)(H,111,135)(H,112,136)(H,113,145)(H,114,146)(H,115,147)(H,116,148)(H,117,139)(H,118,140)(H,119,141)(H,120,142)(H,121,143)(H,122,144)/t57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 301 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor C47A mutant low affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536276
(CHEMBL4564152)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-3-23(2)36-42(66)51-27(13-14-32(45)57)38(62)52-29(20-33(46)58)39(63)53-30(22-69-68-18-15-35(60)49-28(40(64)54-36)19-24-9-11-25(56)12-10-24)43(67)55-17-6-8-31(55)41(65)50-26(7-4-5-16-44)37(61)48-21-34(47)59/h9-12,23,26-31,36,56H,3-8,13-22,44H2,1-2H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,54,64)/t23-,26-,27-,28-,29-,30-,31-,36-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor V43A/C47A double mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagge... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536277
(CHEMBL4541104)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C96H146N24O26S4/c1-5-53(3)81-93(143)111-61(33-35-71(97)123)85(135)113-65(47-73(99)125)87(137)115-67(51-149-147-43-37-79(131)107-63(89(139)117-81)45-55-25-29-57(121)30-26-55)95(145)119-41-17-21-69(119)91(141)109-59(83(133)105-49-75(101)127)19-13-15-39-103-77(129)23-11-9-7-8-10-12-24-78(130)104-40-16-14-20-60(84(134)106-50-76(102)128)110-92(142)70-22-18-42-120(70)96(146)68-52-150-148-44-38-80(132)108-64(46-56-27-31-58(122)32-28-56)90(140)118-82(54(4)6-2)94(144)112-62(34-36-72(98)124)86(136)114-66(48-74(100)126)88(138)116-68/h25-32,53-54,59-70,81-82,121-122H,5-24,33-52H2,1-4H3,(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H2,101,127)(H2,102,128)(H,103,129)(H,104,130)(H,105,133)(H,106,134)(H,107,131)(H,108,132)(H,109,141)(H,110,142)(H,111,143)(H,112,144)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)(H,118,140)/t53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,81-,82-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor V43A/C47A double mutant expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagge... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536279
(CHEMBL4567752)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C100H154N24O26S4/c1-5-57(3)85-97(147)115-65(37-39-75(101)127)89(139)117-69(51-77(103)129)91(141)119-71(55-153-151-47-41-83(135)111-67(93(143)121-85)49-59-29-33-61(125)34-30-59)99(149)123-45-21-25-73(123)95(145)113-63(87(137)109-53-79(105)131)23-17-19-43-107-81(133)27-15-13-11-9-7-8-10-12-14-16-28-82(134)108-44-20-18-24-64(88(138)110-54-80(106)132)114-96(146)74-26-22-46-124(74)100(150)72-56-154-152-48-42-84(136)112-68(50-60-31-35-62(126)36-32-60)94(144)122-86(58(4)6-2)98(148)116-66(38-40-76(102)128)90(140)118-70(52-78(104)130)92(142)120-72/h29-36,57-58,63-74,85-86,125-126H,5-28,37-56H2,1-4H3,(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H2,105,131)(H2,106,132)(H,107,133)(H,108,134)(H,109,137)(H,110,138)(H,111,135)(H,112,136)(H,113,145)(H,114,146)(H,115,147)(H,116,148)(H,117,139)(H,118,140)(H,119,141)(H,120,142)(H,121,143)(H,122,144)/t57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0110 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor V43A/C47A double mutant high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536278
(CHEMBL4520170)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C94H142N24O26S4/c1-5-51(3)79-91(141)109-59(31-33-69(95)121)83(133)111-63(45-71(97)123)85(135)113-65(49-147-145-41-35-77(129)105-61(87(137)115-79)43-53-23-27-55(119)28-24-53)93(143)117-39-15-19-67(117)89(139)107-57(81(131)103-47-73(99)125)17-11-13-37-101-75(127)21-9-7-8-10-22-76(128)102-38-14-12-18-58(82(132)104-48-74(100)126)108-90(140)68-20-16-40-118(68)94(144)66-50-148-146-42-36-78(130)106-62(44-54-25-29-56(120)30-26-54)88(138)116-80(52(4)6-2)92(142)110-60(32-34-70(96)122)84(134)112-64(46-72(98)124)86(136)114-66/h23-30,51-52,57-68,79-80,119-120H,5-22,31-50H2,1-4H3,(H2,95,121)(H2,96,122)(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H,101,127)(H,102,128)(H,103,131)(H,104,132)(H,105,129)(H,106,130)(H,107,139)(H,108,140)(H,109,141)(H,110,142)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,79-,80-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536279
(CHEMBL4567752)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C100H154N24O26S4/c1-5-57(3)85-97(147)115-65(37-39-75(101)127)89(139)117-69(51-77(103)129)91(141)119-71(55-153-151-47-41-83(135)111-67(93(143)121-85)49-59-29-33-61(125)34-30-59)99(149)123-45-21-25-73(123)95(145)113-63(87(137)109-53-79(105)131)23-17-19-43-107-81(133)27-15-13-11-9-7-8-10-12-14-16-28-82(134)108-44-20-18-24-64(88(138)110-54-80(106)132)114-96(146)74-26-22-46-124(74)100(150)72-56-154-152-48-42-84(136)112-68(50-60-31-35-62(126)36-32-60)94(144)122-86(58(4)6-2)98(148)116-66(38-40-76(102)128)90(140)118-70(52-78(104)130)92(142)120-72/h29-36,57-58,63-74,85-86,125-126H,5-28,37-56H2,1-4H3,(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H2,105,131)(H2,106,132)(H,107,133)(H,108,134)(H,109,137)(H,110,138)(H,111,135)(H,112,136)(H,113,145)(H,114,146)(H,115,147)(H,116,148)(H,117,139)(H,118,140)(H,119,141)(H,120,142)(H,121,143)(H,122,144)/t57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536279
(CHEMBL4567752)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C100H154N24O26S4/c1-5-57(3)85-97(147)115-65(37-39-75(101)127)89(139)117-69(51-77(103)129)91(141)119-71(55-153-151-47-41-83(135)111-67(93(143)121-85)49-59-29-33-61(125)34-30-59)99(149)123-45-21-25-73(123)95(145)113-63(87(137)109-53-79(105)131)23-17-19-43-107-81(133)27-15-13-11-9-7-8-10-12-14-16-28-82(134)108-44-20-18-24-64(88(138)110-54-80(106)132)114-96(146)74-26-22-46-124(74)100(150)72-56-154-152-48-42-84(136)112-68(50-60-31-35-62(126)36-32-60)94(144)122-86(58(4)6-2)98(148)116-66(38-40-76(102)128)90(140)118-70(52-78(104)130)92(142)120-72/h29-36,57-58,63-74,85-86,125-126H,5-28,37-56H2,1-4H3,(H2,101,127)(H2,102,128)(H2,103,129)(H2,104,130)(H2,105,131)(H2,106,132)(H,107,133)(H,108,134)(H,109,137)(H,110,138)(H,111,135)(H,112,136)(H,113,145)(H,114,146)(H,115,147)(H,116,148)(H,117,139)(H,118,140)(H,119,141)(H,120,142)(H,121,143)(H,122,144)/t57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,85-,86-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 59 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Ggamma2 and Gbeta1 pro... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50536278
(CHEMBL4520170)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C94H142N24O26S4/c1-5-51(3)79-91(141)109-59(31-33-69(95)121)83(133)111-63(45-71(97)123)85(135)113-65(49-147-145-41-35-77(129)105-61(87(137)115-79)43-53-23-27-55(119)28-24-53)93(143)117-39-15-19-67(117)89(139)107-57(81(131)103-47-73(99)125)17-11-13-37-101-75(127)21-9-7-8-10-22-76(128)102-38-14-12-18-58(82(132)104-48-74(100)126)108-90(140)68-20-16-40-118(68)94(144)66-50-148-146-42-36-78(130)106-62(44-54-25-29-56(120)30-26-54)88(138)116-80(52(4)6-2)92(142)110-60(32-34-70(96)122)84(134)112-64(46-72(98)124)86(136)114-66/h23-30,51-52,57-68,79-80,119-120H,5-22,31-50H2,1-4H3,(H2,95,121)(H2,96,122)(H2,97,123)(H2,98,124)(H2,99,125)(H2,100,126)(H,101,127)(H,102,128)(H,103,131)(H,104,132)(H,105,129)(H,106,130)(H,107,139)(H,108,140)(H,109,141)(H,110,142)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)/t51-,52-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,79-,80-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a |
Institute of Neuroscience
Curated by ChEMBL
| Assay Description Agonist activity at human oxytocin receptor high affinity site expressed in HEK293 cells coexpressing Rluc8-tagged Galphaq, N-terminal GFP-tagged Gga... |
J Med Chem 59: 7152-66 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00564 BindingDB Entry DOI: 10.7270/Q2QN6B94 |
More data for this Ligand-Target Pair | |