BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 87 hits from Aventis   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14691
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50080177
PNG
((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50366682
PNG
(CHEMBL1627395)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(ccc4[C@H]3CC[C@]12C)C(O)=O
Show InChI InChI=1S/C26H37NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h7-8,14-16,20-23H,6,9-13H2,1-5H3,(H,29,30)/t20-,21-,22+,23-,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14690
PNG
(2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50113760
PNG
(2-{4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo...)
Show SMILES COC(=O)c1cc(C[C@@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(cc3)-c3ccccc3)C2=O)ccc1C(C(O)=O)C(O)=O
Show InChI InChI=1S/C35H37N3O9/c1-21(39)36-29(19-23-13-16-26(27(18-23)35(46)47-2)30(33(42)43)34(44)45)31(40)37-28-10-6-7-17-38(32(28)41)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-30H,6-7,10,17,19-20H2,1-2H3,(H,36,39)(H,37,40)(H,42,43)(H,44,45)/t28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50074242
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(O)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-25(38)19(10-12-22(35)36)29-24(37)18(9-11-21(33)34)30-26(39)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,37)(H,30,39)(H,31,38)(H,33,34)(H,35,36)(H,40,41)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101143
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-5'-fluoro-3'-n...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1c(F)cc(cc1[N+]([O-])=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H23FN2O6/c1-12(2)23(13(3)4)19(25)11-30-20-17(22)9-16(10-18(20)24(28)29)14-5-7-15(8-6-14)21(26)27/h5-10,12-13H,11H2,1-4H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101145
PNG
((4aR,6aS,7S,11aR)-4a,6a-Dimethyl-2-oxo-hexadecahyd...)
Show SMILES CC(C)N(C(C)C)C(=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42N2O2/c1-15(2)27(16(3)4)23(29)20-9-8-18-17-7-10-21-25(6,14-12-22(28)26-21)19(17)11-13-24(18,20)5/h15-21H,7-14H2,1-6H3,(H,26,28)/t17?,18?,19?,20-,21-,24+,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101155
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-3',5'-diisopro...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1c(cc(cc1C(C)C)-c1ccc(cc1)C(O)=O)C(C)C
Show InChI InChI=1S/C27H37NO4/c1-16(2)23-13-22(20-9-11-21(12-10-20)27(30)31)14-24(17(3)4)26(23)32-15-25(29)28(18(5)6)19(7)8/h9-14,16-19H,15H2,1-8H3,(H,30,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103063
PNG
(CHEMBL24482 | Phosphoric acid mono-{4-[(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C29H32N3O7PS/c1-20(33)30-26(17-21-9-13-25(14-10-21)39-40(36,37)38)28(34)31-27-19-41-16-15-32(29(27)35)18-22-7-11-24(12-8-22)23-5-3-2-4-6-23/h2-14,26-27H,15-19H2,1H3,(H,30,33)(H,31,34)(H2,36,37,38)/t26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101154
PNG
(5'-Fluoro-3'-nitro-4'-[(trityl-carbamoyl)-methoxy]...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(F)c(OCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C34H25FN2O6/c35-29-20-25(23-16-18-24(19-17-23)33(39)40)21-30(37(41)42)32(29)43-22-31(38)36-34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-21H,22H2,(H,36,38)(H,39,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 92n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103045
PNG
(3-{(R)-6-[(S)-2-Acetylamino-3-(4-phosphonooxy-phen...)
Show SMILES COC(=O)c1cccc(CN2CCSC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)c1
Show InChI InChI=1S/C25H30N3O9PS/c1-16(29)26-21(13-17-6-8-20(9-7-17)37-38(33,34)35)23(30)27-22-15-39-11-10-28(24(22)31)14-18-4-3-5-19(12-18)25(32)36-2/h3-9,12,21-22H,10-11,13-15H2,1-2H3,(H,26,29)(H,27,30)(H2,33,34,35)/t21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50080177
PNG
((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103062
PNG
(CHEMBL304304 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C30H31N4O7PS/c1-20(35)32-27(16-21-9-11-25(12-10-21)41-42(38,39)40)29(36)33-28-19-43-14-13-34(30(28)37)18-22-5-4-7-23(15-22)26-8-3-2-6-24(26)17-31/h2-12,15,27-28H,13-14,16,18-19H2,1H3,(H,32,35)(H,33,36)(H2,38,39,40)/t27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101153
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-3'-ethyl-biphe...)
Show SMILES CCc1cc(ccc1OCC(=O)N(C(C)C)C(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-6-17-13-20(18-7-9-19(10-8-18)23(26)27)11-12-21(17)28-14-22(25)24(15(2)3)16(4)5/h7-13,15-16H,6,14H2,1-5H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103065
PNG
(CHEMBL307344 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(OC(F)(F)F)c2)C1=O
Show InChI InChI=1S/C24H27F3N3O8PS/c1-15(31)28-20(12-16-5-7-18(8-6-16)38-39(34,35)36)22(32)29-21-14-40-10-9-30(23(21)33)13-17-3-2-4-19(11-17)37-24(25,26)27/h2-8,11,20-21H,9-10,12-14H2,1H3,(H,28,31)(H,29,32)(H2,34,35,36)/t20-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14694
PNG
(2-(carboxymethyl)-5-[(2S)-2-acetamido-2-{[(3S)-2-o...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CC(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50113764
PNG
(2-{4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo...)
Show SMILES COC(=O)c1cc(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(cc3)-c3ccccc3)C2=O)ccc1C(C(O)=O)C(O)=O
Show InChI InChI=1S/C35H37N3O9/c1-21(39)36-29(19-23-13-16-26(27(18-23)35(46)47-2)30(33(42)43)34(44)45)31(40)37-28-10-6-7-17-38(32(28)41)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-30H,6-7,10,17,19-20H2,1-2H3,(H,36,39)(H,37,40)(H,42,43)(H,44,45)/t28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 556n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101146
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-2-trifluoromet...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1ccc(cc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C22H24F3NO4/c1-13(2)26(14(3)4)20(27)12-30-17-8-5-15(6-9-17)18-10-7-16(21(28)29)11-19(18)22(23,24)25/h5-11,13-14H,12H2,1-4H3,(H,28,29)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 570n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101149
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-biphenyl-4-car...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H25NO4/c1-14(2)22(15(3)4)20(23)13-26-19-11-9-17(10-12-19)16-5-7-18(8-6-16)21(24)25/h5-12,14-15H,13H2,1-4H3,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 830n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101156
PNG
(2-Chloro-4'-[(diisopropylcarbamoyl)-methoxy]-biphe...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C21H24ClNO4/c1-13(2)23(14(3)4)20(24)12-27-17-8-5-15(6-9-17)18-10-7-16(21(25)26)11-19(18)22/h5-11,13-14H,12H2,1-4H3,(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103051
PNG
(CHEMBL66294 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc3OCOc3c2Cl)C1=O
Show InChI InChI=1S/C24H27ClN3O9PS/c1-14(29)26-18(10-15-2-5-17(6-3-15)37-38(32,33)34)23(30)27-19-12-39-9-8-28(24(19)31)11-16-4-7-20-22(21(16)25)36-13-35-20/h2-7,18-19H,8-13H2,1H3,(H,26,29)(H,27,30)(H2,32,33,34)/t18-,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103053
PNG
(CHEMBL68300 | [(S)-1-[4-(3-Cyclohexyl-propyl)-5-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSCCN(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C28H44N3O8PS/c1-28(2,3)38-27(34)30-23(18-21-11-13-22(14-12-21)39-40(35,36)37)25(32)29-24-19-41-17-16-31(26(24)33)15-7-10-20-8-5-4-6-9-20/h11-14,20,23-24H,4-10,15-19H2,1-3H3,(H,29,32)(H,30,34)(H2,35,36,37)/t23-,24?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103066
PNG
(CHEMBL66171 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)C(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C30H32N3O8PS/c1-20(34)31-26(17-21-10-12-25(13-11-21)41-42(38,39)40)29(36)32-27-19-43-15-14-33(30(27)37)18-22-6-5-9-24(16-22)28(35)23-7-3-2-4-8-23/h2-13,16,26-27H,14-15,17-19H2,1H3,(H,31,34)(H,32,36)(H2,38,39,40)/t26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103043
PNG
(CHEMBL69373 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C24H27F3N3O7PS/c1-15(31)28-20(12-16-5-7-19(8-6-16)37-38(34,35)36)22(32)29-21-14-39-10-9-30(23(21)33)13-17-3-2-4-18(11-17)24(25,26)27/h2-8,11,20-21H,9-10,12-14H2,1H3,(H,28,31)(H,29,32)(H2,34,35,36)/t20-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101144
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-2'-ethyl-biphe...)
Show SMILES CCc1cc(OCC(=O)N(C(C)C)C(C)C)ccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-6-17-13-20(28-14-22(25)24(15(2)3)16(4)5)11-12-21(17)18-7-9-19(10-8-18)23(26)27/h7-13,15-16H,6,14H2,1-5H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of type 2 5-alpha-reductase of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103052
PNG
(CHEMBL303238 | Phosphoric acid benzyl ester 4-[(2-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C44H40N3O8PS/c1-53-35-24-20-33(21-25-35)43-42(46-40(48)26-30-18-22-36(23-19-30)55-56(51,52)54-29-31-10-3-2-4-11-31)44(50)47(38-16-7-8-17-39(38)57-43)28-41(49)45-27-34-14-9-13-32-12-5-6-15-37(32)34/h2-25,42-43H,26-29H2,1H3,(H,45,49)(H,46,48)(H,51,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103049
PNG
(CHEMBL65844 | {(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H56N3O9PS/c1-46(2,3)57-45(52)47-38(30-33-21-25-37(26-22-33)58-59(53,54)56-31-34-16-9-6-10-17-34)43(50)48-41-42(35-23-27-36(55-4)28-24-35)60-40-20-12-11-19-39(40)49(44(41)51)29-13-18-32-14-7-5-8-15-32/h6,9-12,16-17,19-28,32,38,41-42H,5,7-8,13-15,18,29-31H2,1-4H3,(H,47,52)(H,48,50)(H,53,54)/t38-,41?,42?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14689
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


Article DOI: 10.1021/jm010927p
BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103050
PNG
(CHEMBL63752 | Phosphoric acid mono-[4-((S)-2-acety...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CN1CCSC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)C1=O
Show InChI InChI=1S/C26H33N4O8PS/c1-17(31)27-22(14-18-4-10-21(11-5-18)38-39(35,36)37)25(33)28-23-16-40-13-12-30(26(23)34)15-24(32)19-6-8-20(9-7-19)29(2)3/h4-11,22-23H,12-16H2,1-3H3,(H,27,31)(H,28,33)(H2,35,36,37)/t22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101151
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-2,6-dimethyl-b...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1c(C)cc(cc1C)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-14(2)24(15(3)4)21(25)13-28-20-9-7-18(8-10-20)22-16(5)11-19(23(26)27)12-17(22)6/h7-12,14-15H,13H2,1-6H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101150
PNG
(2',6'-Dichloro-4'-[(diisopropylcarbamoyl)-methoxy]...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1cc(Cl)c(c(Cl)c1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H23Cl2NO4/c1-12(2)24(13(3)4)19(25)11-28-16-9-17(22)20(18(23)10-16)14-5-7-15(8-6-14)21(26)27/h5-10,12-13H,11H2,1-4H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101148
PNG
(4'-[(Diisopropylcarbamoyl)-methoxy]-2,6-difluoro-b...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1c(F)cc(cc1F)C(O)=O
Show InChI InChI=1S/C21H23F2NO4/c1-12(2)24(13(3)4)19(25)11-28-16-7-5-14(6-8-16)20-17(22)9-15(21(26)27)10-18(20)23/h5-10,12-13H,11H2,1-4H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Homo sapiens (Human))
BDBM50101147
PNG
(2,6-Dichloro-4'-[(diisopropylcarbamoyl)-methoxy]-b...)
Show SMILES CC(C)N(C(C)C)C(=O)COc1ccc(cc1)-c1c(Cl)cc(cc1Cl)C(O)=O
Show InChI InChI=1S/C21H23Cl2NO4/c1-12(2)24(13(3)4)19(25)11-28-16-7-5-14(6-8-16)20-17(22)9-15(21(26)27)10-18(20)23/h5-10,12-13H,11H2,1-4H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of Steroid 5-alpha-reductase type 2 of human prostates


Bioorg Med Chem Lett 11: 1713-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00268-2
BindingDB Entry DOI: 10.7270/Q2ZC83C9
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103044
PNG
(CHEMBL430262 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C39H50N3O8PS/c1-39(2,3)49-38(45)41-32(25-29-20-22-31(23-21-29)50-51(46,47)48-26-30-15-8-5-9-16-30)36(43)40-33-27-52-35-19-11-10-18-34(35)42(37(33)44)24-12-17-28-13-6-4-7-14-28/h5,8-11,15-16,18-23,28,32-33H,4,6-7,12-14,17,24-27H2,1-3H3,(H,40,43)(H,41,45)(H,46,47)/t32-,33?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103054
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C51H51N4O11PS/c1-51(2,3)65-50(59)53-42(30-34-22-26-40(27-23-34)66-67(60,61)63-33-35-14-7-5-8-15-35)48(57)54-46-47(36-24-28-38(62-4)29-25-36)68-44-21-12-11-20-43(44)55(49(46)58)32-45(56)52-37-16-13-19-41(31-37)64-39-17-9-6-10-18-39/h5-29,31,42,46-47H,30,32-33H2,1-4H3,(H,52,56)(H,53,59)(H,54,57)(H,60,61)/t42-,46?,47?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103064
PNG
(4'-[3-{(S)-3-[4-(Benzyloxy-hydroxy-phosphoryloxy)-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(Cc2ccc(cc2)-c2ccccc2C(=O)OC(C)(C)C)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C55H58N3O11PS/c1-54(2,3)67-52(61)44-18-12-11-17-43(44)39-25-21-37(22-26-39)34-58-46-19-13-14-20-47(46)71-49(40-27-31-41(65-7)32-28-40)48(51(58)60)57-50(59)45(56-53(62)68-55(4,5)6)33-36-23-29-42(30-24-36)69-70(63,64)66-35-38-15-9-8-10-16-38/h8-32,45,48-49H,33-35H2,1-7H3,(H,56,62)(H,57,59)(H,63,64)/t45-,48?,49?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103067
PNG
(CHEMBL66442 | [(R)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103046
PNG
(CHEMBL304340 | [(S)-1-[5-(3-Cyclohexyl-propyl)-2-(...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H49N3O6S/c1-39(2,3)48-38(46)40-31(25-27-16-20-29(43)21-17-27)36(44)41-34-35(28-18-22-30(47-4)23-19-28)49-33-15-9-8-14-32(33)42(37(34)45)24-10-13-26-11-6-5-7-12-26/h8-9,14-23,26,31,34-35,43H,5-7,10-13,24-25H2,1-4H3,(H,40,46)(H,41,44)/t31-,34?,35?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103047
PNG
(CHEMBL304284 | Phosphoric acid benzyl ester 4-(2-(...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1ccc(OP(O)(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C43H38N3O8PS/c1-52-34-22-18-31(19-23-34)41-40(45-42(48)32-20-24-35(25-21-32)54-55(50,51)53-28-29-10-3-2-4-11-29)43(49)46(37-16-7-8-17-38(37)56-41)27-39(47)44-26-33-14-9-13-30-12-5-6-15-36(30)33/h2-25,40-41H,26-28H2,1H3,(H,44,47)(H,45,48)(H,50,51)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103059
PNG
(CHEMBL302113 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103055
PNG
(CHEMBL66278 | Phosphoric acid benzyl ester 6-(2-(4...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)c1ccc2cc(OP(O)(=O)OCc3ccccc3)ccc2c1
Show InChI InChI=1S/C47H40N3O8PS/c1-56-38-23-20-33(21-24-38)45-44(49-46(52)36-19-18-35-27-39(25-22-34(35)26-36)58-59(54,55)57-30-31-10-3-2-4-11-31)47(53)50(41-16-7-8-17-42(41)60-45)29-43(51)48-28-37-14-9-13-32-12-5-6-15-40(32)37/h2-27,44-45H,28-30H2,1H3,(H,48,51)(H,49,52)(H,54,55)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103057
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(C(C(=O)Nc2cccc3ccccc23)c2ccccc2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C55H53N4O10PS/c1-55(2,3)68-54(63)57-45(34-36-26-30-42(31-27-36)69-70(64,65)67-35-37-16-7-5-8-17-37)51(60)58-48-50(40-28-32-41(66-4)33-29-40)71-47-25-14-13-24-46(47)59(53(48)62)49(39-19-9-6-10-20-39)52(61)56-44-23-15-21-38-18-11-12-22-43(38)44/h5-33,45,48-50H,34-35H2,1-4H3,(H,56,61)(H,57,63)(H,58,60)(H,64,65)/t45-,48?,49?,50?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103059
PNG
(CHEMBL302113 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc3ccccc23)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C49H49N4O10PS/c1-49(2,3)62-48(57)51-40(29-32-21-25-37(26-22-32)63-64(58,59)61-31-33-13-6-5-7-14-33)46(55)52-44-45(35-23-27-36(60-4)28-24-35)65-42-20-11-10-19-41(42)53(47(44)56)30-43(54)50-39-18-12-16-34-15-8-9-17-38(34)39/h5-28,40,44-45H,29-31H2,1-4H3,(H,50,54)(H,51,57)(H,52,55)(H,58,59)/t40-,44?,45?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


Article DOI: 10.1016/s0960-894x(01)00386-9
BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>
Jump to: