Found 212 hits with Last Name = 'marsters' and Initial = 'jc' 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 |
|---|
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179795
(CHEMBL382690 | PVKRRL-(3-Cl)F-NH2)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccc(Cl)c1)-[#6](-[#7])=O Show InChI InChI=1S/C43H74ClN15O7/c1-24(2)21-33(40(65)57-32(35(46)60)23-26-11-7-12-27(44)22-26)58-39(64)31(16-10-20-53-43(49)50)55-38(63)30(15-9-19-52-42(47)48)54-37(62)29(13-5-6-17-45)56-41(66)34(25(3)4)59-36(61)28-14-8-18-51-28/h7,11-12,22,24-25,28-34,51H,5-6,8-10,13-21,23,45H2,1-4H3,(H2,46,60)(H,54,62)(H,55,63)(H,56,66)(H,57,65)(H,58,64)(H,59,61)(H4,47,48,52)(H4,49,50,53)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119092
(4-Methyl-piperazine-1-carboxylic acid 4-[(S)-2-car...)Show SMILES CN1CCN(CC1)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C22H24ClN3O5/c1-25-10-12-26(13-11-25)22(30)31-16-8-6-15(7-9-16)14-19(21(28)29)24-20(27)17-4-2-3-5-18(17)23/h2-9,19H,10-14H2,1H3,(H,24,27)(H,28,29)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50108219
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50284631
(2-(2-{3-[(2-Amino-3-mercapto-propionyl)-methyl-ami...)Show SMILES CSCC[C@H](NC(=O)CN1c2ccccc2C(=N[C@@H](N(C)C(=O)[C@@H](N)CS)C1=O)c1ccccc1)C(O)=O |c:17| Show InChI InChI=1S/C26H31N5O5S2/c1-30(24(33)18(27)15-37)23-25(34)31(14-21(32)28-19(26(35)36)12-13-38-2)20-11-7-6-10-17(20)22(29-23)16-8-4-3-5-9-16/h3-11,18-19,23,37H,12-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19-,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against rat brain p21ras Ras Farnesyltransferase (FTase) |
Bioorg Med Chem Lett 5: 1335-1338 (1995)
Article DOI: 10.1016/0960-894X(95)00218-I
BindingDB Entry DOI: 10.7270/Q27S7NR3 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179784
(CHEMBL381053 | N-((S)-1-((S)-1-(trans-2-(3-chlorop...)Show SMILES CC[C@H](NC(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 Show InChI InChI=1S/C33H42ClN5O3S/c1-4-27(37-30(40)23-14-12-22(13-15-23)20-36-33-35-16-17-43-33)31(41)39-29(18-21(2)3)32(42)38-28-11-6-5-10-26(28)24-8-7-9-25(34)19-24/h7-9,12-17,19,21,26-29H,4-6,10-11,18,20H2,1-3H3,(H,35,36)(H,37,40)(H,38,42)(H,39,41)/t26-,27-,28+,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
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 |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302111
(CHEMBL572255 | N-(4-chloro-3-(1-methyl-1H-benzo[d]...)Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2n1C)C(F)(F)F Show InChI InChI=1S/C22H16ClF3N4O/c1-12-14(8-10-19(27-12)22(24,25)26)21(31)28-13-7-9-16(23)15(11-13)20-29-17-5-3-4-6-18(17)30(20)2/h3-11H,1-2H3,(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119089
((S)-2-(2-Chloro-benzoylamino)-3-(4-dimethylcarbamo...)Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C19H19ClN2O5/c1-22(2)19(26)27-13-9-7-12(8-10-13)11-16(18(24)25)21-17(23)14-5-3-4-6-15(14)20/h3-10,16H,11H2,1-2H3,(H,21,23)(H,24,25)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179803
(CHEMBL440581 | PVKRRLFA)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C46H79N15O9/c1-26(2)24-34(42(67)60-35(25-29-14-7-6-8-15-29)41(66)55-28(5)44(69)70)59-40(65)33(19-13-23-54-46(50)51)57-39(64)32(18-12-22-53-45(48)49)56-38(63)31(16-9-10-20-47)58-43(68)36(27(3)4)61-37(62)30-17-11-21-52-30/h6-8,14-15,26-28,30-36,52H,9-13,16-25,47H2,1-5H3,(H,55,66)(H,56,63)(H,57,64)(H,58,68)(H,59,65)(H,60,67)(H,61,62)(H,69,70)(H4,48,49,53)(H4,50,51,54)/t28-,30-,31-,32-,33-,34-,35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50108219
((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...)Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179797
(CHEMBL206400 | PAKRRLFG)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C43H73N15O9/c1-25(2)22-32(41(67)58-33(36(62)52-24-34(59)60)23-27-12-5-4-6-13-27)57-40(66)31(17-11-21-51-43(47)48)56-39(65)30(16-10-20-50-42(45)46)55-38(64)29(14-7-8-18-44)54-35(61)26(3)53-37(63)28-15-9-19-49-28/h4-6,12-13,25-26,28-33,49H,7-11,14-24,44H2,1-3H3,(H,52,62)(H,53,63)(H,54,61)(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H,59,60)(H4,45,46,50)(H4,47,48,51)/t26-,28-,29-,30-,31-,32-,33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119096
((S)-2-(2-Chloro-benzoylamino)-3-[2'-(4-methyl-pipe...)Show SMILES CN1CCN(Cc2ccccc2-c2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)CC1 Show InChI InChI=1S/C28H30ClN3O3/c1-31-14-16-32(17-15-31)19-22-6-2-3-7-23(22)21-12-10-20(11-13-21)18-26(28(34)35)30-27(33)24-8-4-5-9-25(24)29/h2-13,26H,14-19H2,1H3,(H,30,33)(H,34,35)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119093
((S)-2-(2-Chloro-benzoylamino)-3-(2'-dimethylaminom...)Show SMILES CN(C)Cc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H25ClN2O3/c1-28(2)16-19-7-3-4-8-20(19)18-13-11-17(12-14-18)15-23(25(30)31)27-24(29)21-9-5-6-10-22(21)26/h3-14,23H,15-16H2,1-2H3,(H,27,29)(H,30,31)/t23-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302139
(CHEMBL570273 | N-(3-(1H-benzo[d]imidazol-2-yl)-4-c...)Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2[nH]1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-11-13(7-9-18(26-11)21(23,24)25)20(30)27-12-6-8-15(22)14(10-12)19-28-16-4-2-3-5-17(16)29-19/h2-10H,1H3,(H,27,30)(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119092
(4-Methyl-piperazine-1-carboxylic acid 4-[(S)-2-car...)Show SMILES CN1CCN(CC1)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C22H24ClN3O5/c1-25-10-12-26(13-11-25)22(30)31-16-8-6-15(7-9-16)14-19(21(28)29)24-20(27)17-4-2-3-5-18(17)23/h2-9,19H,10-14H2,1H3,(H,24,27)(H,28,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179798
(CHEMBL206617 | PVKRRLFG)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C45H77N15O9/c1-26(2)23-33(42(68)59-34(37(63)54-25-35(61)62)24-28-13-6-5-7-14-28)58-41(67)32(18-12-22-53-45(49)50)56-40(66)31(17-11-21-52-44(47)48)55-39(65)30(15-8-9-19-46)57-43(69)36(27(3)4)60-38(64)29-16-10-20-51-29/h5-7,13-14,26-27,29-34,36,51H,8-12,15-25,46H2,1-4H3,(H,54,63)(H,55,65)(H,56,66)(H,57,69)(H,58,67)(H,59,68)(H,60,64)(H,61,62)(H4,47,48,52)(H4,49,50,53)/t29-,30-,31-,32-,33-,34-,36-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50249522
(2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...)Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179789
(CHEMBL381309 | PVKRRLF)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O Show InChI InChI=1S/C43H74N14O8/c1-25(2)23-32(39(62)56-33(41(64)65)24-27-13-6-5-7-14-27)55-38(61)31(18-12-22-51-43(47)48)53-37(60)30(17-11-21-50-42(45)46)52-36(59)29(15-8-9-19-44)54-40(63)34(26(3)4)57-35(58)28-16-10-20-49-28/h5-7,13-14,25-26,28-34,49H,8-12,15-24,44H2,1-4H3,(H,52,59)(H,53,60)(H,54,63)(H,55,61)(H,56,62)(H,57,58)(H,64,65)(H4,45,46,50)(H4,47,48,51)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
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antibodypedia
antibodypedia
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179801
(AVKRRLFG | CHEMBL381957)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C43H75N15O9/c1-24(2)21-31(40(66)57-32(36(62)52-23-33(59)60)22-27-13-7-6-8-14-27)56-39(65)30(17-12-20-51-43(48)49)54-38(64)29(16-11-19-50-42(46)47)53-37(63)28(15-9-10-18-44)55-41(67)34(25(3)4)58-35(61)26(5)45/h6-8,13-14,24-26,28-32,34H,9-12,15-23,44-45H2,1-5H3,(H,52,62)(H,53,63)(H,54,64)(H,55,67)(H,56,65)(H,57,66)(H,58,61)(H,59,60)(H4,46,47,50)(H4,48,49,51)/t26-,28-,29-,30-,31-,32-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
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KEGG
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119093
((S)-2-(2-Chloro-benzoylamino)-3-(2'-dimethylaminom...)Show SMILES CN(C)Cc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C25H25ClN2O3/c1-28(2)16-19-7-3-4-8-20(19)18-13-11-17(12-14-18)15-23(25(30)31)27-24(29)21-9-5-6-10-22(21)26/h3-14,23H,15-16H2,1-2H3,(H,27,29)(H,30,31)/t23-/m0/s1 | PDB
Reactome pathway
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| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119083
((S)-2-(2-Chloro-benzoylamino)-3-(4-phenethylcarbam...)Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCCc2ccccc2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C25H23ClN2O5/c26-21-9-5-4-8-20(21)23(29)28-22(24(30)31)16-18-10-12-19(13-11-18)33-25(32)27-15-14-17-6-2-1-3-7-17/h1-13,22H,14-16H2,(H,27,32)(H,28,29)(H,30,31)/t22-/m0/s1 | PDB
Reactome pathway
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| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119085
((S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyl...)Show SMILES CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C20H21ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,2,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
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Patents
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| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179814
(CHEMBL205076 | N-((S)-1-((S)-1-(trans-2-(3-chlorop...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 Show InChI InChI=1S/C32H40ClN5O3S/c1-20(2)17-28(31(41)37-27-10-5-4-9-26(27)24-7-6-8-25(33)18-24)38-29(39)21(3)36-30(40)23-13-11-22(12-14-23)19-35-32-34-15-16-42-32/h6-8,11-16,18,20-21,26-28H,4-5,9-10,17,19H2,1-3H3,(H,34,35)(H,36,40)(H,37,41)(H,38,39)/t21-,26-,27+,28-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119089
((S)-2-(2-Chloro-benzoylamino)-3-(4-dimethylcarbamo...)Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C19H19ClN2O5/c1-22(2)19(26)27-13-9-7-12(8-10-13)11-16(18(24)25)21-17(23)14-5-3-4-6-15(14)20/h3-10,16H,11H2,1-2H3,(H,21,23)(H,24,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119087
((S)-2-(2-Chloro-benzoylamino)-3-(2'-{[2-(4-hydroxy...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccc(O)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-8-4-3-7-27(28)30(36)34-29(31(37)38)19-22-9-13-23(14-10-22)26-6-2-1-5-24(26)20-33-18-17-21-11-15-25(35)16-12-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119096
((S)-2-(2-Chloro-benzoylamino)-3-[2'-(4-methyl-pipe...)Show SMILES CN1CCN(Cc2ccccc2-c2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)CC1 Show InChI InChI=1S/C28H30ClN3O3/c1-31-14-16-32(17-15-31)19-22-6-2-3-7-23(22)21-12-10-20(11-13-21)18-26(28(34)35)30-27(33)24-8-4-5-9-25(24)29/h2-13,26H,14-19H2,1H3,(H,30,33)(H,34,35)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
antibodypedia
GoogleScholar
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119087
((S)-2-(2-Chloro-benzoylamino)-3-(2'-{[2-(4-hydroxy...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccc(O)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-8-4-3-7-27(28)30(36)34-29(31(37)38)19-22-9-13-23(14-10-22)26-6-2-1-5-24(26)20-33-18-17-21-11-15-25(35)16-12-21/h1-16,29,33,35H,17-20H2,(H,34,36)(H,37,38)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179782
(CHEMBL382815 | PVKRRLF-NH2)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C43H75N15O7/c1-25(2)23-33(40(64)56-32(35(45)59)24-27-13-6-5-7-14-27)57-39(63)31(18-12-22-52-43(48)49)54-38(62)30(17-11-21-51-42(46)47)53-37(61)29(15-8-9-19-44)55-41(65)34(26(3)4)58-36(60)28-16-10-20-50-28/h5-7,13-14,25-26,28-34,50H,8-12,15-24,44H2,1-4H3,(H2,45,59)(H,53,61)(H,54,62)(H,55,65)(H,56,64)(H,57,63)(H,58,60)(H4,46,47,51)(H4,48,49,52)/t28-,29-,30-,31-,32-,33-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179806
(CHEMBL379697 | N-((S)-1-((S)-1-(trans-2-(3-chlorop...)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1 Show InChI InChI=1S/C33H47ClN6O3/c1-4-5-12-28(39-30(41)23-16-14-22(15-17-23)20-37-33(35)36)31(42)40-29(18-21(2)3)32(43)38-27-13-7-6-11-26(27)24-9-8-10-25(34)19-24/h8-10,14-17,19,21,26-29H,4-7,11-13,18,20H2,1-3H3,(H,38,43)(H,39,41)(H,40,42)(H4,35,36,37)/t26-,27+,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119097
((S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-ben...)Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCC=C)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C20H19ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h2-10,17H,1,11-12H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119085
((S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyl...)Show SMILES CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C20H21ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,2,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
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DrugBank
antibodypedia
antibodypedia
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| CHEMBL
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179802
(CHEMBL203101 | trans-N-((S)-4-methyl-1-oxo-1-(tran...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 Show InChI InChI=1S/C35H44N4O3S/c1-23(2)21-31(34(42)38-30-14-7-6-11-27(30)25-9-4-3-5-10-25)39-33(41)29-13-8-12-28(29)32(40)26-17-15-24(16-18-26)22-37-35-36-19-20-43-35/h3-5,9-10,15-20,23,27-31H,6-8,11-14,21-22H2,1-2H3,(H,36,37)(H,38,42)(H,39,41)/t27-,28+,29+,30+,31-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302138
(CHEMBL570712 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...)Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1 Show InChI InChI=1S/C19H15ClN2O3S/c1-26(24,25)15-8-5-13(6-9-15)19(23)22-14-7-10-17(20)16(12-14)18-4-2-3-11-21-18/h2-12H,1H3,(H,22,23) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302123
(CHEMBL571353 | N-(4-chloro-3-(pyridin-2-yl)phenyl)...)Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C19H13ClF3N3O/c1-11-13(6-8-17(25-11)19(21,22)23)18(27)26-12-5-7-15(20)14(10-12)16-4-2-3-9-24-16/h2-10H,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179787
(CHEMBL206396 | N-((S)-1-((S)-1-(trans-2-(3-chlorop...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1 Show InChI InChI=1S/C33H48ClN9O3/c1-20(2)17-28(31(46)41-26-10-4-3-9-25(26)23-7-5-8-24(34)18-23)43-30(45)27(11-6-16-39-32(35)36)42-29(44)22-14-12-21(13-15-22)19-40-33(37)38/h5,7-8,12-15,18,20,25-28H,3-4,6,9-11,16-17,19H2,1-2H3,(H,41,46)(H,42,44)(H,43,45)(H4,35,36,39)(H4,37,38,40)/t25-,26+,27-,28-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119090
((S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamin...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O3/c32-28-13-7-6-12-27(28)30(35)34-29(31(36)37)20-23-14-16-24(17-15-23)26-11-5-4-10-25(26)21-33-19-18-22-8-2-1-3-9-22/h1-17,29,33H,18-21H2,(H,34,35)(H,36,37)/t29-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119088
((S)-2-(2-Chloro-benzoylamino)-3-(3'-{[2-(4-hydroxy...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccc(CNCCc2ccc(O)cc2)c1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-7-2-1-6-27(28)30(36)34-29(31(37)38)19-22-8-12-24(13-9-22)25-5-3-4-23(18-25)20-33-17-16-21-10-14-26(35)15-11-21/h1-15,18,29,33,35H,16-17,19-20H2,(H,34,36)(H,37,38)/t29-/m0/s1 | PDB
Reactome pathway
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| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119095
((S)-2-(2-Chloro-benzoylamino)-3-{2'-[(3-methyl-but...)Show SMILES CC(C)CCNCc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C28H31ClN2O3/c1-19(2)15-16-30-18-22-7-3-4-8-23(22)21-13-11-20(12-14-21)17-26(28(33)34)31-27(32)24-9-5-6-10-25(24)29/h3-14,19,26,30H,15-18H2,1-2H3,(H,31,32)(H,33,34)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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| CHEMBL
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PC sid
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| PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119094
((S)-2-(2-Chloro-benzoylamino)-3-(2'-methoxy-biphen...)Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C23H20ClNO4/c1-29-21-9-5-3-6-17(21)16-12-10-15(11-13-16)14-20(23(27)28)25-22(26)18-7-2-4-8-19(18)24/h2-13,20H,14H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302128
(CHEMBL570936 | N-(4-chloro-3-(quinoxalin-2-yl)phen...)Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1cnc2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C22H14ClF3N4O/c1-12-14(7-9-20(28-12)22(24,25)26)21(31)29-13-6-8-16(23)15(10-13)19-11-27-17-4-2-3-5-18(17)30-19/h2-11H,1H3,(H,29,31) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119088
((S)-2-(2-Chloro-benzoylamino)-3-(3'-{[2-(4-hydroxy...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccc(CNCCc2ccc(O)cc2)c1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O4/c32-28-7-2-1-6-27(28)30(36)34-29(31(37)38)19-22-8-12-24(13-9-22)25-5-3-4-23(18-25)20-33-17-16-21-10-14-26(35)15-11-21/h1-15,18,29,33,35H,16-17,19-20H2,(H,34,36)(H,37,38)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
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Patents
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| PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119097
((S)-3-(4-Allylcarbamoyloxy-phenyl)-2-(2-chloro-ben...)Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NCC=C)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C20H19ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h2-10,17H,1,11-12H2,(H,22,27)(H,23,24)(H,25,26)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179812
(CHEMBL205197 | N-((S)-1-((S)-1-(trans-2-(3-chlorop...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-c1ccc(-[#6]\[#7]=[#6](\[#7])-[#7])cc1)-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-c1cccc(Cl)c1 Show InChI InChI=1S/C30H41ClN6O3/c1-18(2)15-26(29(40)36-25-10-5-4-9-24(25)22-7-6-8-23(31)16-22)37-27(38)19(3)35-28(39)21-13-11-20(12-14-21)17-34-30(32)33/h6-8,11-14,16,18-19,24-26H,4-5,9-10,15,17H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)(H4,32,33,34)/t19-,24-,25+,26-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119090
((S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamin...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O3/c32-28-13-7-6-12-27(28)30(35)34-29(31(36)37)20-23-14-16-24(17-15-23)26-11-5-4-10-25(26)21-33-19-18-22-8-2-1-3-9-22/h1-17,29,33H,18-21H2,(H,34,35)(H,36,37)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50179790
(CHEMBL381396 | PVARRLFG)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O Show InChI InChI=1S/C42H70N14O9/c1-23(2)20-30(39(64)55-31(35(60)50-22-32(57)58)21-26-12-7-6-8-13-26)54-38(63)29(16-11-19-49-42(45)46)53-37(62)28(15-10-18-48-41(43)44)52-34(59)25(5)51-40(65)33(24(3)4)56-36(61)27-14-9-17-47-27/h6-8,12-13,23-25,27-31,33,47H,9-11,14-22H2,1-5H3,(H,50,60)(H,51,65)(H,52,59)(H,53,62)(H,54,63)(H,55,64)(H,56,61)(H,57,58)(H4,43,44,48)(H4,45,46,49)/t25-,27-,28-,29-,30-,31-,33-/m0/s1 | PDB
Reactome pathway
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Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/CyclinA |
Bioorg Med Chem Lett 16: 1716-20 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.004
BindingDB Entry DOI: 10.7270/Q2DV1JG7 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302113
(CHEMBL572005 | N-(3-(benzo[d]thiazol-2-yl)-4-chlor...)Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2s1)C(F)(F)F Show InChI InChI=1S/C21H13ClF3N3OS/c1-11-13(7-9-18(26-11)21(23,24)25)19(29)27-12-6-8-15(22)14(10-12)20-28-16-4-2-3-5-17(16)30-20/h2-10H,1H3,(H,27,29) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-7
(Homo sapiens (Human)) | BDBM50119091
((S)-2-(2-Chloro-benzoylamino)-3-(4-p-tolylcarbamoy...)Show SMILES Cc1ccc(NC(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(O)=O)cc2)cc1 Show InChI InChI=1S/C24H21ClN2O5/c1-15-6-10-17(11-7-15)26-24(31)32-18-12-8-16(9-13-18)14-21(23(29)30)27-22(28)19-4-2-3-5-20(19)25/h2-13,21H,14H2,1H3,(H,26,31)(H,27,28)(H,29,30)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Rattus norvegicus-Rattus norvegicus (rat)) | BDBM50284630
((R)-2-(2-{(S)-3-[((R)-2-Amino-3-mercapto-propionyl...)Show SMILES CSCC[C@@H](NC(=O)CN1c2ccccc2C(=N[C@@H](N(C)C(=O)[C@@H](N)CS)C1=O)c1ccccc1)C(O)=O |c:17| Show InChI InChI=1S/C26H31N5O5S2/c1-30(24(33)18(27)15-37)23-25(34)31(14-21(32)28-19(26(35)36)12-13-38-2)20-11-7-6-10-17(20)22(29-23)16-8-4-3-5-9-16/h3-11,18-19,23,37H,12-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibitory activity against rat brain p21ras Ras Farnesyltransferase (FTase) |
Bioorg Med Chem Lett 5: 1335-1338 (1995)
Article DOI: 10.1016/0960-894X(95)00218-I
BindingDB Entry DOI: 10.7270/Q27S7NR3 |
More data for this
Ligand-Target Pair | |
Sonic hedgehog protein
(Mus musculus (Mouse)) | BDBM50302115
(CHEMBL569818 | N-(4-chloro-3-(2H-indazol-2-yl)phen...)Show SMILES Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-n1cc2ccccc2n1)C(F)(F)F Show InChI InChI=1S/C21H14ClF3N4O/c1-12-15(7-9-19(26-12)21(23,24)25)20(30)27-14-6-8-16(22)18(10-14)29-11-13-4-2-3-5-17(13)28-29/h2-11H,1H3,(H,27,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of SHH in mouse C3H10T1/2 cells by Gli-luciferase reporter gene assay |
Bioorg Med Chem Lett 19: 5576-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.049
BindingDB Entry DOI: 10.7270/Q21R6QMJ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4/beta-1
(Homo sapiens (Human)) | BDBM50119095
((S)-2-(2-Chloro-benzoylamino)-3-{2'-[(3-methyl-but...)Show SMILES CC(C)CCNCc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C28H31ClN2O3/c1-19(2)15-16-30-18-22-7-3-4-8-23(22)21-13-11-20(12-14-21)17-26(28(33)34)31-27(32)24-9-5-6-10-25(24)29/h3-14,19,26,30H,15-18H2,1-2H3,(H,31,32)(H,33,34)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay |
Bioorg Med Chem Lett 12: 2913-7 (2002)
BindingDB Entry DOI: 10.7270/Q2X34WT2 |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50144081
((S)-2-(2-Chloro-6-fluoro-benzoylamino)-succinamic ...)Show InChI InChI=1S/C11H10ClFN2O4/c12-5-2-1-3-6(13)9(5)10(17)15-7(11(18)19)4-8(14)16/h1-3,7H,4H2,(H2,14,16)(H,15,17)(H,18,19)/t7-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibitory activity against association of LFA-1 with intercellular adhesion molecule 1 |
Bioorg Med Chem Lett 14: 2055-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.046
BindingDB Entry DOI: 10.7270/Q2T1532F |
More data for this
Ligand-Target Pair | |
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