BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 274 hits with Last Name = 'mason' and Initial = 'am'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Oxytocin receptor


(HEK293)
BDBM50384817
PNG
(CHEMBL2037514)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-4-20(5-2)26-28(35)32-25(24-16-21-8-6-7-9-22(21)17-24)29(36)34(26)27(23-11-10-19(3)31-18-23)30(37)33-12-14-38-15-13-33/h6-11,18,20,24-27H,4-5,12-17H2,1-3H3,(H,32,35)/t25-,26-,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384816
PNG
(CHEMBL2037516)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H38N4O3/c1-7-19(8-2)25-27(34)31-24(22-15-20-11-9-10-12-21(20)16-22)28(35)33(25)26(29(36)32(5)6)23-14-13-17(3)30-18(23)4/h9-14,19,22,24-26H,7-8,15-16H2,1-6H3,(H,31,34)/t24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384800
PNG
(CHEMBL2037517)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C31H40N4O4/c1-5-21(6-2)27-29(36)33-26(24-17-22-9-7-8-10-23(22)18-24)30(37)35(27)28(25-12-11-19(3)32-20(25)4)31(38)34-13-15-39-16-14-34/h7-12,21,24,26-28H,5-6,13-18H2,1-4H3,(H,33,36)/t26-,27-,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384823
PNG
(CHEMBL2037507)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-13-19-10-8-9-11-20(19)14-21)27(34)32(24)25(28(35)31(5)6)22-15-29-18(4)12-17(22)3/h8-12,15-16,21,23-25H,7,13-14H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0398n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384822
PNG
(CHEMBL2037508)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-15-21-8-6-7-9-22(21)16-23)29(36)34(26)27(24-17-31-20(4)14-19(24)3)30(37)33-10-12-38-13-11-33/h6-9,14,17-18,23,25-27H,5,10-13,15-16H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384818
PNG
(CHEMBL2037513)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O3/c1-6-18(7-2)24-26(33)30-23(22-14-19-10-8-9-11-20(19)15-22)27(34)32(24)25(28(35)31(4)5)21-13-12-17(3)29-16-21/h8-13,16,18,22-25H,6-7,14-15H2,1-5H3,(H,30,33)/t23-,24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384837
PNG
(CHEMBL2037515)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O3/c1-6-18(7-2)24-27(34)31-23(21-14-19-10-8-9-11-20(19)15-21)28(35)32(24)25(26(33)29-5)22-13-12-16(3)30-17(22)4/h8-13,18,21,23-25H,6-7,14-15H2,1-5H3,(H,29,33)(H,31,34)/t23-,24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384824
PNG
(CHEMBL2037506)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2cnc(C)cc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-6-15(2)23-26(33)30-22(20-12-18-9-7-8-10-19(18)13-20)27(34)31(23)24(25(32)28-5)21-14-29-17(4)11-16(21)3/h7-11,14-15,20,22-24H,6,12-13H2,1-5H3,(H,28,32)(H,30,33)/t15-,22+,23+,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384815
PNG
(CHEMBL2037496)
Show SMILES CN(C)C(=O)[C@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)c1ccc(C)nc1
Show InChI InChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384838
PNG
(CHEMBL2037510)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O3/c1-7-16(2)24-26(33)30-23(21-14-19-10-8-9-11-20(19)15-21)27(34)32(24)25(28(35)31(5)6)22-13-12-17(3)29-18(22)4/h8-13,16,21,23-25H,7,14-15H2,1-6H3,(H,30,33)/t16-,23+,24+,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50190528
PNG
((2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihy...)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H31F2N3O3/c1-15(2)11-22-25(33)30-23(18-12-16-7-5-6-8-17(16)13-18)26(34)32(22)24(27(35)31(3)4)20-10-9-19(28)14-21(20)29/h5-10,14-15,18,22-24H,11-13H2,1-4H3,(H,30,33)/t22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384834
PNG
(CHEMBL2037497)
Show SMILES Cc1ccc(cn1)[C@@H](N1[C@H](CC(C)(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H38N4O4/c1-19-9-10-22(18-31-19)26(29(37)33-11-13-38-14-12-33)34-24(17-30(2,3)4)27(35)32-25(28(34)36)23-15-20-7-5-6-8-21(20)16-23/h5-10,18,23-26H,11-17H2,1-4H3,(H,32,35)/t24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384819
PNG
(CHEMBL2037512)
Show SMILES CCC(CC)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-5-17(6-2)23-26(33)30-22(21-13-18-9-7-8-10-19(18)14-21)27(34)31(23)24(25(32)28-4)20-12-11-16(3)29-15-20/h7-12,15,17,21-24H,5-6,13-14H2,1-4H3,(H,28,32)(H,30,33)/t22-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228930
PNG
((E)-2-(6-chloro-benzo[b]thiophen-2-yl)-ethenesulfo...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C27H22ClFN2O5S3/c1-38(33,34)26-5-3-2-4-21(26)17-7-9-24(22(29)15-17)31-12-10-23(27(31)32)30-39(35,36)13-11-20-14-18-6-8-19(28)16-25(18)37-20/h2-9,11,13-16,23,30H,10,12H2,1H3/b13-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384820
PNG
(EPELSIBAN | GSK557296B)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11,18,23,25-27H,5,12-17H2,1-4H3,(H,32,35)/t18-,25+,26+,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
0.126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384803
PNG
(CHEMBL2037501)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24+,25+,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228950
PNG
((E)-2-(5-chloro-thiophen-2-yl)-ethenesulfonic acid...)
Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H20ClFN2O5S3/c1-34(29,30)21-5-3-2-4-17(21)15-6-8-20(18(25)14-15)27-12-10-19(23(27)28)26-35(31,32)13-11-16-7-9-22(24)33-16/h2-9,11,13-14,19,26H,10,12H2,1H3/b13-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384805
PNG
(CHEMBL2037499)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-6-16(2)23-25(32)29-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)30(4)5)20-12-11-17(3)28-15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,29,32)/t16-,22+,23+,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374259
PNG
(CHEMBL257741)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C(/C)c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H25ClFN5O3S2/c1-15(20-6-7-21(24)34-20)14-35(32,33)27-18-8-10-30(23(18)31)19-5-4-16(12-17(19)25)29-11-9-26-22(29)13-28(2)3/h4-7,9,11-12,14,18,27H,8,10,13H2,1-3H3/b15-14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228676
PNG
((S)-2-(5-chlorothiophen-2-yl)-N-(1-(4-(2-((dimethy...)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H23ClFN5O3S2/c1-27(2)14-21-25-9-11-28(21)15-3-5-19(17(24)13-15)29-10-7-18(22(29)30)26-34(31,32)12-8-16-4-6-20(23)33-16/h3-6,8-9,11-13,18,26H,7,10,14H2,1-2H3/b12-8+/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384812
PNG
(CHEMBL2037489)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(nc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H37N5O3/c1-17(2)13-22-26(34)30-24(21-14-18-9-7-8-10-19(18)15-21)27(35)33(22)25(28(36)32(5)6)20-11-12-23(29-16-20)31(3)4/h7-12,16-17,21-22,24-25H,13-15H2,1-6H3,(H,30,34)/t22-,24-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384836
PNG
(CHEMBL2037487)
Show SMILES COc1ccc(cn1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H36N4O5/c1-18(2)14-23-27(34)31-25(22-15-19-6-4-5-7-20(19)16-22)28(35)33(23)26(21-8-9-24(37-3)30-17-21)29(36)32-10-12-38-13-11-32/h4-9,17-18,22-23,25-26H,10-16H2,1-3H3,(H,31,34)/t23-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384811
PNG
(CHEMBL2037490)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(nc2)N(C)C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H39N5O4/c1-19(2)15-24-28(36)32-26(23-16-20-7-5-6-8-21(20)17-23)29(37)35(24)27(30(38)34-11-13-39-14-12-34)22-9-10-25(31-18-22)33(3)4/h5-10,18-19,23-24,26-27H,11-17H2,1-4H3,(H,32,36)/t24-,26-,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384821
PNG
(CHEMBL2037509)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)NC)c2ccc(C)nc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O3/c1-6-15(2)23-26(33)30-22(20-13-18-9-7-8-10-19(18)14-20)27(34)31(23)24(25(32)28-5)21-12-11-16(3)29-17(21)4/h7-12,15,20,22-24H,6,13-14H2,1-5H3,(H,28,32)(H,30,33)/t15-,22+,23+,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384835
PNG
(CHEMBL2037492)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-18(2)14-24-27(34)31-25(23-15-20-6-4-5-7-21(20)16-23)28(35)33(24)26(22-9-8-19(3)30-17-22)29(36)32-10-12-37-13-11-32/h4-9,17-18,23-26H,10-16H2,1-3H3,(H,31,34)/t24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384814
PNG
(CHEMBL2037486)
Show SMILES COc1ccc(cn1)[C@@H](N1[C@H](CC(C)C)C(=O)N[C@H](C2Cc3ccccc3C2)C1=O)C(=O)N(C)C
Show InChI InChI=1S/C27H34N4O4/c1-16(2)12-21-25(32)29-23(20-13-17-8-6-7-9-18(17)14-20)26(33)31(21)24(27(34)30(3)4)19-10-11-22(35-5)28-15-19/h6-11,15-16,20-21,23-24H,12-14H2,1-5H3,(H,29,32)/t21-,23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.398n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374262
PNG
(CHEMBL272779)
Show SMILES CCN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C23H25ClFN5O3S2/c1-3-28(2)15-22-26-10-12-29(22)16-4-6-20(18(25)14-16)30-11-8-19(23(30)31)27-35(32,33)13-9-17-5-7-21(24)34-17/h4-7,9-10,12-14,19,27H,3,8,11,15H2,1-2H3/b13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228954
PNG
((E)-2-(6-(3-(2-(5-chlorothiophen-2-yl)vinylsulfona...)
Show SMILES CN(C)S(=O)(=O)c1ccccc1-c1ccc(nc1)N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O
Show InChI InChI=1S/C23H23ClN4O5S3/c1-27(2)36(32,33)20-6-4-3-5-18(20)16-7-10-22(25-15-16)28-13-11-19(23(28)29)26-35(30,31)14-12-17-8-9-21(24)34-17/h3-10,12,14-15,19,26H,11,13H2,1-2H3/b14-12+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374264
PNG
(CHEMBL257863)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)-n1ccnc1CN1CCCC1
Show InChI InChI=1S/C24H25ClFN5O3S2/c25-22-6-4-18(35-22)8-14-36(33,34)28-20-7-12-31(24(20)32)21-5-3-17(15-19(21)26)30-13-9-27-23(30)16-29-10-1-2-11-29/h3-6,8-9,13-15,20,28H,1-2,7,10-12,16H2/b14-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374270
PNG
(CHEMBL271015)
Show SMILES CN(C)Cc1nocc1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C22H22ClFN4O4S2/c1-27(2)12-19-16(13-32-25-19)14-3-5-20(17(24)11-14)28-9-7-18(22(28)29)26-34(30,31)10-8-15-4-6-21(23)33-15/h3-6,8,10-11,13,18,26H,7,9,12H2,1-2H3/b10-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384804
PNG
(CHEMBL2037500)
Show SMILES CC[C@@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384809
PNG
(CHEMBL2037493)
Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCCC2)c2ccc(C)nc2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C29H36N4O3/c1-18(2)14-24-27(34)31-25(23-15-20-8-4-5-9-21(20)16-23)28(35)33(24)26(22-11-10-19(3)30-17-22)29(36)32-12-6-7-13-32/h4-5,8-11,17-18,23-26H,6-7,12-16H2,1-3H3,(H,31,34)/t24-,25-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50328712
PNG
((S)-6-chloro-N-(1-(4-(2-((dimethylamino)methyl)-1H...)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1
Show InChI InChI=1S/C26H25ClFN5O3S/c1-31(2)16-25-29-10-12-32(25)20-6-8-24(22(28)15-20)33-11-9-23(26(33)34)30-37(35,36)21-7-4-17-13-19(27)5-3-18(17)14-21/h3-8,10,12-15,23,30H,9,11,16H2,1-2H3/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374263
PNG
(CHEMBL437097)
Show SMILES CC(C)N(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)\C=C\c3ccc(Cl)s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H27ClFN5O3S2/c1-16(2)29(3)15-23-27-10-12-30(23)17-4-6-21(19(26)14-17)31-11-8-20(24(31)32)28-36(33,34)13-9-18-5-7-22(25)35-18/h4-7,9-10,12-14,16,20,28H,8,11,15H2,1-3H3/b13-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50372608
PNG
(CHEMBL429736 | GSK-221149A)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to human oxytocin receptor


Bioorg Med Chem Lett 18: 90-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.008
BindingDB Entry DOI: 10.7270/Q2XD12H2
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50228940
PNG
(6-chloro-N-(1-(4-(2-cyanopyridin-3-yl)-2-fluorophe...)
Show SMILES Fc1cc(ccc1N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)-c1cccnc1C#N
Show InChI InChI=1S/C26H18ClFN4O3S/c27-19-6-3-17-13-20(7-4-16(17)12-19)36(34,35)31-23-9-11-32(26(23)33)25-8-5-18(14-22(25)28)21-2-1-10-30-24(21)15-29/h1-8,10,12-14,23,31H,9,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human F10a by fluorescence assay


Bioorg Med Chem Lett 18: 23-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.023
BindingDB Entry DOI: 10.7270/Q2SX6CZF
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384801
PNG
(CHEMBL2037504)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C28H36N4O3/c1-7-17(3)24-26(33)30-23(21-13-19-10-8-9-11-20(19)14-21)27(34)32(24)25(28(35)31(5)6)22-12-16(2)15-29-18(22)4/h8-12,15,17,21,23-25H,7,13-14H2,1-6H3,(H,30,33)/t17-,23+,24+,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384839
PNG
(CHEMBL2037505)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2cc(C)cnc2C)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C30H38N4O4/c1-5-19(3)26-28(35)32-25(23-15-21-8-6-7-9-22(21)16-23)29(36)34(26)27(24-14-18(2)17-31-20(24)4)30(37)33-10-12-38-13-11-33/h6-9,14,17,19,23,25-27H,5,10-13,15-16H2,1-4H3,(H,32,35)/t19-,25+,26+,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50374274
PNG
(CHEMBL403111)
Show SMILES CN(C)Cc1nccn1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1
Show InChI InChI=1S/C24H23ClFN5O3S2/c1-29(2)14-22-27-8-10-30(22)17-5-6-20(18(26)13-17)31-9-7-19(24(31)32)28-36(33,34)23-11-15-3-4-16(25)12-21(15)35-23/h3-6,8,10-13,19,28H,7,9,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of factor 10a


Bioorg Med Chem Lett 18: 28-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.019
BindingDB Entry DOI: 10.7270/Q29024PS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12528
PNG
((2S)-2-[(3S)-3-[(6-chloronaphthalene-2-)sulfonamid...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C23H31ClN4O6S2/c1-15(2)27(12-10-25-35(4,31)32)22(29)16(3)28-11-9-21(23(28)30)26-36(33,34)20-8-6-17-13-19(24)7-5-18(17)14-20/h5-8,13-16,21,25-26H,9-12H2,1-4H3/t16-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12542
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C25H34ClN5O7S2/c1-16(2)29(12-10-28-39(4,35)36)24(33)17(3)30-11-9-22(25(30)34)31(15-23(27)32)40(37,38)21-8-6-18-13-20(26)7-5-19(18)14-21/h5-8,13-14,16-17,22,28H,9-12,15H2,1-4H3,(H2,27,32)/t17-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12541
PNG
((2S)-N-[2-(carbamoylamino)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C25H33ClN6O6S/c1-15(2)30(11-9-29-25(28)36)23(34)16(3)31-10-8-21(24(31)35)32(14-22(27)33)39(37,38)20-7-5-17-12-19(26)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14H2,1-3H3,(H2,27,33)(H3,28,29,36)/t16-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12540
PNG
((2S)-N-(2-aminoethyl)-2-[(3S)-3-{2-[(6-chloronapht...)
Show SMILES CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H32ClN5O5S/c1-15(2)28(11-9-26)23(32)16(3)29-10-8-21(24(29)33)30(14-22(27)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21H,8-11,14,26H2,1-3H3,(H2,27,31)/t16-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12539
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C24H31ClN4O6S/c1-15(2)27(10-11-30)23(32)16(3)28-9-8-21(24(28)33)29(14-22(26)31)36(34,35)20-7-5-17-12-19(25)6-4-18(17)13-20/h4-7,12-13,15-16,21,30H,8-11,14H2,1-3H3,(H2,26,31)/t16-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12544
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C28H38ClN5O6S/c1-19(2)32(11-10-31-12-14-40-15-13-31)27(36)20(3)33-9-8-25(28(33)37)34(18-26(30)35)41(38,39)24-7-5-21-16-23(29)6-4-22(21)17-24/h4-7,16-17,19-20,25H,8-15,18H2,1-3H3,(H2,30,35)/t20-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12545
PNG
((2S)-N-[2-(1H-azepin-1-yl)ethyl]-2-[(3S)-3-{2-[(6-...)
Show SMILES CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C30H36ClN5O5S/c1-21(2)34(17-16-33-13-6-4-5-7-14-33)29(38)22(3)35-15-12-27(30(35)39)36(20-28(32)37)42(40,41)26-11-9-23-18-25(31)10-8-24(23)19-26/h4-11,13-14,18-19,21-22,27H,12,15-17,20H2,1-3H3,(H2,32,37)/t22-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12557
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12543
PNG
((2S)-2-[(3S)-3-{2-[(6-chloronaphthalene-2-)sulfona...)
Show SMILES CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
Show InChI InChI=1S/C29H40ClN5O5S/c1-20(2)33(16-15-32-12-5-4-6-13-32)28(37)21(3)34-14-11-26(29(34)38)35(19-27(31)36)41(39,40)25-10-8-22-17-24(30)9-7-23(22)18-25/h7-10,17-18,20-21,26H,4-6,11-16,19H2,1-3H3,(H2,31,36)/t21-,26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 5953-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.001
BindingDB Entry DOI: 10.7270/Q2CF9NB8
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50384833
PNG
(CHEMBL2037502)
Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N(C)C)c2ccc(C)[n+]([O-])c2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1
Show InChI InChI=1S/C27H34N4O4/c1-6-16(2)23-25(32)28-22(21-13-18-9-7-8-10-19(18)14-21)26(33)31(23)24(27(34)29(4)5)20-12-11-17(3)30(35)15-20/h7-12,15-16,21-24H,6,13-14H2,1-5H3,(H,28,32)/t16-,22+,23+,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]oxytocin from human oxytocin receptor


J Med Chem 55: 783-96 (2012)


Article DOI: 10.1021/jm201287w
BindingDB Entry DOI: 10.7270/Q2MS3TSH
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 274 total )  |  Next  |  Last  >>
Jump to: