Found 406 hits with Last Name = 'jacob' and Initial = 'g' 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 |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217812
(CHEMBL322526)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#7])=O Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)30-17(29)24-9-7-23(8-10-24)16(28)25-12(13(19)26)11(14(25)27)5-4-6-22-15(20)21/h11-12H,4-10H2,1-3H3,(H2,19,26)(H4,20,21,22)/t11-,12+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217626
(CHEMBL322538)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)OCCc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C22H30N6O6/c23-20(24)25-9-4-7-16-17(19(30)31)28(18(16)29)21(32)26-10-12-27(13-11-26)22(33)34-14-8-15-5-2-1-3-6-15/h1-3,5-6,16-17H,4,7-14H2,(H,30,31)(H4,23,24,25)/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217627
(CHEMBL110061)Show SMILES [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6] Show InChI InChI=1S/C19H33N7O5/c1-19(2,3)31-18(30)25-10-8-24(9-11-25)17(29)26-13(14(27)22-4)12(15(26)28)6-5-7-23-16(20)21/h12-13H,5-11H2,1-4H3,(H,22,27)(H4,20,21,23)/t12-,13+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50144535
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)Show SMILES OC(=O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C27H38N4O5/c32-23(10-6-2-5-9-20-7-3-1-4-8-20)29-15-17-30(18-16-29)27(36)31-24(26(34)35)22(25(31)33)19-21-11-13-28-14-12-21/h1,3-4,7-8,21-22,24,28H,2,5-6,9-19H2,(H,34,35)/t22-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217801
(CHEMBL111250)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2ccc(cc2)-c2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C21H22N4O4/c22-21(23)24-12-4-7-16-17(20(28)29)25(19(16)27)18(26)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,28,29)(H4,22,23,24)/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217622
(CHEMBL443539)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)c2cccs2)C1=O)C(O)=O Show InChI InChI=1S/C13H16N4O4S/c14-13(15)16-5-1-3-7-9(12(20)21)17(10(7)18)11(19)8-4-2-6-22-8/h2,4,6-7,9H,1,3,5H2,(H,20,21)(H4,14,15,16)/t7-,9+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217599
(CHEMBL109888)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C20H22N4O5S/c21-20(22)23-12-4-7-16-17(19(26)27)24(18(16)25)30(28,29)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2,(H,26,27)(H4,21,22,23)/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50192668
(CHEMBL1684950)Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CaV 3.1 channel (unknown origin) expressed in HEK293 cells by FLEPR Ca2+ flux assay |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50192668
(CHEMBL1684950)Show SMILES CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1 |r| Show InChI InChI=1S/C20H23F3N2O2/c1-13(2)16-6-4-15(5-7-16)10-19(26)25-14(3)18-9-8-17(11-24-18)27-12-20(21,22)23/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,26)/t14-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CaV 3.3 channel (unknown origin) expressed in HEK293 cells by FLEPR Ca2+ flux assay |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217818
(CHEMBL440515)Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21?,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217817
(CHEMBL326209)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)CCCCCc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C25H36N6O5/c26-24(27)28-13-7-11-19-21(23(34)35)31(22(19)33)25(36)30-16-14-29(15-17-30)20(32)12-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,19,21H,2,5-7,10-17H2,(H,34,35)(H4,26,27,28)/t19-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50120387
((2S,3R)-3-((R)-1-Carbamimidoyl-piperidin-3-ylmethy...)Show SMILES NC(=N)N1CCC[C@H](C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50120387
((2S,3R)-3-((R)-1-Carbamimidoyl-piperidin-3-ylmethy...)Show SMILES NC(=N)N1CCC[C@H](C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50221046
(CHEMBL72282)Show SMILES NCCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)CCCCCc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C25H36N4O5/c26-14-8-7-12-20-22(24(32)33)29(23(20)31)25(34)28-17-15-27(16-18-28)21(30)13-6-2-5-11-19-9-3-1-4-10-19/h1,3-4,9-10,20,22H,2,5-8,11-18,26H2,(H,32,33)/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50217824
(BMS-363130 | CHEMBL70738)Show SMILES [H][C@@]1(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)CCCN(C1)C(N)=N Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22+,24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217824
(BMS-363130 | CHEMBL70738)Show SMILES [H][C@@]1(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccc3)C2=O)C(O)=O)CCCN(C1)C(N)=N Show InChI InChI=1S/C28H40N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-22,24H,2,5-7,10-19H2,(H3,29,30)(H,37,38)/t21-,22+,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217823
(CHEMBL111630)Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)OCCCOc3ccccc3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C26H36N6O7/c27-24(28)31-9-4-6-18(17-31)16-20-21(23(34)35)32(22(20)33)25(36)29-10-12-30(13-11-29)26(37)39-15-5-14-38-19-7-2-1-3-8-19/h1-3,7-8,18,20-21H,4-6,9-17H2,(H3,27,28)(H,34,35)/t18?,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217822
(CHEMBL111173)Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)NCCCCc3ccccc3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C27H39N7O5/c28-25(29)33-12-6-10-20(18-33)17-21-22(24(36)37)34(23(21)35)27(39)32-15-13-31(14-16-32)26(38)30-11-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2,(H3,28,29)(H,30,38)(H,36,37)/t20?,21-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | <1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50144532
((2S,3R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-...)Show SMILES OC(=O)[C@@H]1[C@@H](CCC2CCCNC2)C(=O)N1C(=O)N1CCN(CC1)C(=O)CCCCCc1ccccc1 Show InChI InChI=1S/C28H40N4O5/c33-24(12-6-2-5-10-21-8-3-1-4-9-21)30-16-18-31(19-17-30)28(37)32-25(27(35)36)23(26(32)34)14-13-22-11-7-15-29-20-22/h1,3-4,8-9,22-23,25,29H,2,5-7,10-20H2,(H,35,36)/t22?,23-,25+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217819
(CHEMBL109504)Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCC3CCCCC3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C28H46N6O5/c29-27(30)33-13-7-11-21(19-33)18-22-24(26(37)38)34(25(22)36)28(39)32-16-14-31(15-17-32)23(35)12-6-2-5-10-20-8-3-1-4-9-20/h20-22,24H,1-19H2,(H3,29,30)(H,37,38)/t21?,22-,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217628
(CHEMBL107493)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C23H39N7O5/c1-23(2,3)35-22(34)29-14-12-28(13-15-29)21(33)30-17(19(32)27-10-5-4-6-11-27)16(18(30)31)8-7-9-26-20(24)25/h16-17H,4-15H2,1-3H3,(H4,24,25,26)/t16-,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200904
(CHEMBL3936835)Show SMILES C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-4-3-5-8-19)23-13-20(25)10-11-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50220841
(BMS-262084 | CHEMBL71037)Show SMILES [#6]C([#6])([#6])[#7]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Tryptase beta-2/delta/gamma
(Homo sapiens (Human)) | BDBM50217813
(CHEMBL302058)Show SMILES [#6]-[#6](-[#6])-[#6](-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O)-[#6](-[#6])-[#6] Show InChI InChI=1S/C21H36N6O6/c1-12(2)16(13(3)4)33-21(32)26-10-8-25(9-11-26)20(31)27-15(18(29)30)14(17(27)28)6-5-7-24-19(22)23/h12-16H,5-11H2,1-4H3,(H,29,30)(H4,22,23,24)/t14-,15+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory activity of compound against human tryptase was determined |
Bioorg Med Chem Lett 14: 2227-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.011 BindingDB Entry DOI: 10.7270/Q2GM86Q3 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50200898
(CHEMBL3924174)Show SMILES C[C@@H]1CN(Cc2ccccc2F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-8-3-5-11-22(19)25)23-12-6-4-10-21(23)18(2)29(17)24(30)27-20-9-7-13-26-14-20/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200787
(CHEMBL3906199)Show SMILES C[C@@H]1CN(Cc2cccc(F)c2F)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C26H27F2N3O/c1-18-16-30(17-21-11-8-13-23(27)25(21)28)24-14-7-6-12-22(24)19(2)31(18)26(32)29-15-20-9-4-3-5-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,29,32)/t18-,19+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50120368
((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...)Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200813
(CHEMBL3921765)Show SMILES [2H]C([2H])(N1C[C@@H](C)N([C@@H](C)c2ccccc12)C(=O)Nc1cccnc1)c1ccccc1 |r| Show InChI InChI=1S/C24H26N4O/c1-18-16-27(17-20-9-4-3-5-10-20)23-13-7-6-12-22(23)19(2)28(18)24(29)26-21-11-8-14-25-15-21/h3-15,18-19H,16-17H2,1-2H3,(H,26,29)/t18-,19+/m1/s1/i17D2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217813
(CHEMBL302058)Show SMILES [#6]-[#6](-[#6])-[#6](-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O)-[#6](-[#6])-[#6] Show InChI InChI=1S/C21H36N6O6/c1-12(2)16(13(3)4)33-21(32)26-10-8-25(9-11-26)20(31)27-15(18(29)30)14(17(27)28)6-5-7-24-19(22)23/h12-16H,5-11H2,1-4H3,(H,29,30)(H4,22,23,24)/t14-,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50120368
((2S,3R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carb...)Show SMILES CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O Show InChI InChI=1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217624
(CHEMBL321622)Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O Show InChI InChI=1S/C18H30N6O6/c1-18(2,3)30-17(29)23-9-7-22(8-10-23)16(28)24-12(14(26)27)11(13(24)25)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,26,27)(H4,19,20,21)/t11-,12+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200910
(CHEMBL3906825)Show SMILES C[C@@H]1CN(Cc2ccccc2)c2nc(F)ccc2[C@H](C)N1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C25H27FN4O/c1-18-16-29(17-21-11-7-4-8-12-21)24-22(13-14-23(26)28-24)19(2)30(18)25(31)27-15-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,31)/t18-,19+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50200914
(CHEMBL3931239)Show SMILES C[C@@H]1CN(Cc2ccc(o2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C23H23F3N4O2/c1-15-13-29(14-18-9-10-21(32-18)23(24,25)26)20-8-4-3-7-19(20)16(2)30(15)22(31)28-17-6-5-11-27-12-17/h3-12,15-16H,13-14H2,1-2H3,(H,28,31)/t15-,16+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217820
(CHEMBL447534)Show SMILES NC(=N)N1CCCC(C[C@@H]2[C@H](N(C(=O)N3CCN(CC3)C(=O)CCCCCc3ccccn3)C2=O)C(O)=O)C1 Show InChI InChI=1S/C27H39N7O5/c28-26(29)33-12-6-7-19(18-33)17-21-23(25(37)38)34(24(21)36)27(39)32-15-13-31(14-16-32)22(35)10-3-1-2-8-20-9-4-5-11-30-20/h4-5,9,11,19,21,23H,1-3,6-8,10,12-18H2,(H3,28,29)(H,37,38)/t19?,21-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200898
(CHEMBL3924174)Show SMILES C[C@@H]1CN(Cc2ccccc2F)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-8-3-5-11-22(19)25)23-12-6-4-10-21(23)18(2)29(17)24(30)27-20-9-7-13-26-14-20/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50200787
(CHEMBL3906199)Show SMILES C[C@@H]1CN(Cc2cccc(F)c2F)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C26H27F2N3O/c1-18-16-30(17-21-11-8-13-23(27)25(21)28)24-14-7-6-12-22(24)19(2)31(18)26(32)29-15-20-9-4-3-5-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,29,32)/t18-,19+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200928
(CHEMBL3896161)Show SMILES C[C@@H]1CN(Cc2cccc(F)c2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-5-8-20(25)13-19)23-11-4-3-10-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217623
(CHEMBL109947)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6@@H](-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1=O)-[#6](-[#8])=O Show InChI InChI=1S/C18H31N7O5/c1-3-22(4-2)17(29)23-8-10-24(11-9-23)18(30)25-13(15(27)28)12(14(25)26)6-5-7-21-16(19)20/h12-13H,3-11H2,1-2H3,(H,27,28)(H4,19,20,21)/t12-,13+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217805
(CHEMBL111548)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)N2CCN(CC2)C(=O)c2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C20H26N6O5/c21-19(22)23-8-4-7-14-15(18(29)30)26(17(14)28)20(31)25-11-9-24(10-12-25)16(27)13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H,29,30)(H4,21,22,23)/t14-,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200922
(CHEMBL3950196)Show SMILES C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)Cc1cncs1 |r| Show InChI InChI=1S/C23H25N3OS/c1-17-14-25(15-19-8-4-3-5-9-19)22-11-7-6-10-21(22)18(2)26(17)23(27)12-20-13-24-16-28-20/h3-11,13,16-18H,12,14-15H2,1-2H3/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200915
(CHEMBL3918060)Show SMILES C[C@@H]1CN(Cc2cnc(s2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H25F3N4OS/c1-16-14-30(15-19-13-28-22(33-19)24(25,26)27)21-11-7-6-10-20(21)17(2)31(16)23(32)29-12-18-8-4-3-5-9-18/h3-11,13,16-17H,12,14-15H2,1-2H3,(H,29,32)/t16-,17+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200851
(CHEMBL3969822)Show SMILES C[C@@H]1CN(Cc2ccc(o2)C(F)(F)F)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C25H26F3N3O2/c1-17-15-30(16-20-12-13-23(33-20)25(26,27)28)22-11-7-6-10-21(22)18(2)31(17)24(32)29-14-19-8-4-3-5-9-19/h3-13,17-18H,14-16H2,1-2H3,(H,29,32)/t17-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200864
(CHEMBL3934860)Show SMILES COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3ccccc3[C@@H]2C)cc1 |r| Show InChI InChI=1S/C27H31N3O2/c1-20-18-29(19-23-9-5-4-6-10-23)26-12-8-7-11-25(26)21(2)30(20)27(31)28-17-22-13-15-24(32-3)16-14-22/h4-16,20-21H,17-19H2,1-3H3,(H,28,31)/t20-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200840
(CHEMBL3968363)Show SMILES C[C@@H]1CN(Cc2ccc(F)c(F)c2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C24H24F2N4O/c1-16-14-29(15-18-9-10-21(25)22(26)12-18)23-8-4-3-7-20(23)17(2)30(16)24(31)28-19-6-5-11-27-13-19/h3-13,16-17H,14-15H2,1-2H3,(H,28,31)/t16-,17+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217601
(CHEMBL320744)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)Nc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C15H19N5O4/c16-14(17)18-8-4-7-10-11(13(22)23)20(12(10)21)15(24)19-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,19,24)(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217601
(CHEMBL320744)Show SMILES NC(=N)NCCC[C@@H]1[C@H](N(C(=O)Nc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C15H19N5O4/c16-14(17)18-8-4-7-10-11(13(22)23)20(12(10)21)15(24)19-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,19,24)(H,22,23)(H4,16,17,18)/t10-,11+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description In vitro inhibition of human tryptase. |
Bioorg Med Chem Lett 12: 3229-33 (2002)
BindingDB Entry DOI: 10.7270/Q2QC05PZ |
More data for this Ligand-Target Pair | |
Tryptase delta
(Homo sapiens (Human)) | BDBM50217815
(CHEMBL113591)Show SMILES CN(CCCCc1ccccc1)C(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCCN(C2)C(N)=N)C1=O)C(O)=O Show InChI InChI=1S/C28H41N7O5/c1-31(12-6-5-10-20-8-3-2-4-9-20)27(39)32-14-16-33(17-15-32)28(40)35-23(25(37)38)22(24(35)36)18-21-11-7-13-34(19-21)26(29)30/h2-4,8-9,21-23H,5-7,10-19H2,1H3,(H3,29,30)(H,37,38)/t21?,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human tryptase |
Bioorg Med Chem Lett 12: 3235-8 (2002)
BindingDB Entry DOI: 10.7270/Q2KK9DZP |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50200910
(CHEMBL3906825)Show SMILES C[C@@H]1CN(Cc2ccccc2)c2nc(F)ccc2[C@H](C)N1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C25H27FN4O/c1-18-16-29(17-21-11-7-4-8-12-21)24-22(13-14-23(26)28-24)19(2)30(18)25(31)27-15-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,31)/t18-,19+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.2 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50200904
(CHEMBL3936835)Show SMILES C[C@@H]1CN(Cc2ccccc2)c2cc(F)ccc2[C@H](C)N1C(=O)Nc1cccnc1 |r| Show InChI InChI=1S/C24H25FN4O/c1-17-15-28(16-19-7-4-3-5-8-19)23-13-20(25)10-11-22(23)18(2)29(17)24(30)27-21-9-6-12-26-14-21/h3-14,17-18H,15-16H2,1-2H3,(H,27,30)/t17-,18+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.1 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50200897
(CHEMBL3984489)Show SMILES C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)CN1CCOCC1 |r| Show InChI InChI=1S/C24H31N3O2/c1-19-16-26(17-21-8-4-3-5-9-21)23-11-7-6-10-22(23)20(2)27(19)24(28)18-25-12-14-29-15-13-25/h3-11,19-20H,12-18H2,1-2H3/t19-,20+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Channel blocking activity at recombinant human CaV 3.3 channel expressed in HEK293 cells assessed as inhibition of Ca2+ flux preincubated for 3 mins ... |
J Med Chem 59: 10661-10675 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01356 BindingDB Entry DOI: 10.7270/Q2RV0QN8 |
More data for this Ligand-Target Pair | |