BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'tripathi' and Initial = 'ac'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50110719
PNG
(5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one | C...)
Show SMILES COC[C@H]1CN(C(=O)O1)n1cccc1
Show InChI InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
 4.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM15611
PNG
(N-Methyl,N-(propargyl),N-(pyrrol-2-ylmethyl)amine ...)
Show SMILES CN(CC#C)Cc1ccc[nH]1
Show InChI InChI=1S/C9H12N2/c1-3-7-11(2)8-9-5-4-6-10-9/h1,4-6,10H,7-8H2,2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
 5.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50028010
PNG
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)
Show SMILES OS(=N)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
 2.90E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50028010
PNG
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)
Show SMILES OS(=N)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
 3.10E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50611766
PNG
(CHEMBL5268461)
Show SMILES [#6]-[#7](-[#6]C#C)-[#6]-c1ccc(cc1)-[#6](=O)-[#7]-[#6]-1-[#6]C([#6])([#6])[#7](-[#8;v1])C([#6])([#6])[#6]-1 |^1:21|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 1.50E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50028010
PNG
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)
Show SMILES OS(=N)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
 3.08E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50113840
PNG
(4-Phenyl-butylamine | 4-phenylbutylamine | CHEMBL7...)
Show SMILES NCCCCc1ccccc1
Show InChI InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
 3.10E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50611765
PNG
(CHEMBL5283202)
Show SMILES [#6]-[#7](-[#6]C#C)-[#6]-c1cccc(c1)-[#6](=O)-[#7]-[#6]-1-[#6]C([#6])([#6])[#7](-[#8;v1])C([#6])([#6])[#6]-1 |^1:21|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 2.68E+5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))		BDBM174835
PNG
(US9114126, 2027BA1)
Show SMILES COc1cc(O)c2c(c1)oc1ccc(O)c(OC)c1c2=O
Show InChI InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars
n/an/a 0.220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50029819
PNG
(2-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H15ClN4O2/c17-14-3-1-2-12(10-14)11-23-15-6-4-13(5-7-15)16-18-20-21(19-16)8-9-22/h1-7,10,22H,8-9,11H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50029810
PNG
(2-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-ethanol |...)
Show SMILES OCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H16N4O2/c21-11-10-20-18-16(17-19-20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038932
PNG
(CHEMBL304069 | N-(9,10-Dioxo-9,10-dihydro-anthrace...)
Show SMILES CC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
Show InChI InChI=1S/C16H11NO3/c1-9(18)17-10-6-7-13-14(8-10)16(20)12-5-3-2-4-11(12)15(13)19/h2-8H,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50611770
PNG
(CHEMBL304484)
Show SMILES CC(=O)Nc1ccc2c(O)c3ccccc3nc2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50611771
PNG
(CHEMBL5270901)
Show SMILES CC(=O)Nc1cc2Cc3ccccc3S(=O)(=O)c2cc1NC(C)=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50611769
PNG
(CHEMBL65583)
Show SMILES CC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038943
PNG
(CHEMBL66260 | N-(7-Acetylamino-10-methyl-5,5-dioxo...)
Show SMILES CN1c2ccc(NC(C)=O)cc2S(=O)(=O)c2cc(NC(C)=O)ccc12
Show InChI InChI=1S/C17H17N3O4S/c1-10(21)18-12-4-6-14-16(8-12)25(23,24)17-9-13(19-11(2)22)5-7-15(17)20(14)3/h4-9H,1-3H3,(H,18,21)(H,19,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50611768
PNG
(CHEMBL292052)
Show SMILES CN1c2ccccc2S(=O)(=O)c2cc(NC(C)=O)ccc12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038939
PNG
(CHEMBL63678 | N-(5,5-Dioxo-5,10-dihydro-5lambda*6*...)
Show SMILES CC(=O)Nc1ccc2Nc3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C14H12N2O3S/c1-9(17)15-10-6-7-12-14(8-10)20(18,19)13-5-3-2-4-11(13)16-12/h2-8,16H,1H3,(H,15,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038947
PNG
(CHEMBL63934 | N-(10,10-Dioxo-10H-10lambda*6*-pheno...)
Show SMILES CC(=O)Nc1ccc2Oc3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C14H11NO4S/c1-9(16)15-10-6-7-12-14(8-10)20(17,18)13-5-3-2-4-11(13)19-12/h2-8H,1H3,(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50611767
PNG
(CHEMBL63782)
Show SMILES O=CN(C=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038946
PNG
(CHEMBL63141 | N-(9,10,10-Trioxo-6-propyl-9,10-dihy...)
Show SMILES CCCc1ccc2C(=O)c3ccc(NC(C)=O)cc3S(=O)(=O)c2c1
Show InChI InChI=1S/C18H17NO4S/c1-3-4-12-5-7-14-16(9-12)24(22,23)17-10-13(19-11(2)20)6-8-15(17)18(14)21/h5-10H,3-4H2,1-2H3,(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038938
PNG
(CHEMBL417566 | N-(6-Ethyl-9,10,10-trioxo-9,10-dihy...)
Show SMILES CCc1ccc2C(=O)c3ccc(NC(C)=O)cc3S(=O)(=O)c2c1
Show InChI InChI=1S/C17H15NO4S/c1-3-11-4-6-13-15(8-11)23(21,22)16-9-12(18-10(2)19)5-7-14(16)17(13)20/h4-9H,3H2,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038941
PNG
(CHEMBL63510 | N-(6-Methyl-9,10,10-trioxo-9,10-dihy...)
Show SMILES CC(=O)Nc1ccc2C(=O)c3ccc(C)cc3S(=O)(=O)c2c1
Show InChI InChI=1S/C16H13NO4S/c1-9-3-5-12-14(7-9)22(20,21)15-8-11(17-10(2)18)4-6-13(15)16(12)19/h3-8H,1-2H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038942
PNG
(CHEMBL63458 | N-(9,10,10-Trioxo-9,10-dihydro-10lam...)
Show SMILES CC(=O)Nc1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C15H11NO4S/c1-9(17)16-10-6-7-12-14(8-10)21(19,20)13-5-3-2-4-11(13)15(12)18/h2-8H,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50038934
PNG
(CHEMBL65156 | N-(9,10,10-Trioxo-9,10-dihydro-10lam...)
Show SMILES CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1S2(=O)=O
Show InChI InChI=1S/C15H11NO4S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)21(14,19)20/h2-8H,1H3,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50428646
PNG
(CHEMBL2332175)
Show SMILES Oc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H13ClO3/c18-13-7-5-12(6-8-13)3-1-2-4-16(20)15-10-9-14(19)11-17(15)21/h1-11,19,21H/b3-1+,4-2+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50029816
PNG
(5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl...)
Show SMILES NCCNC(=O)c1ccc(Cl)cn1
Show InChI InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents
n/an/a 30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))		BDBM24529
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)

Eur J Med Chem 72: 52-77 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.017
BindingDB Entry DOI: 10.7270/Q26M39SV
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))		BDBM50031048
PNG
(3-(4-(trifluoromethyl)phenyl)-5H-indeno[1,2-c]pyri...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
Show InChI InChI=1S/C18H9F3N2O/c19-18(20,21)11-7-5-10(6-8-11)15-9-14-16(23-22-15)12-3-1-2-4-13(12)17(14)24/h1-9H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409091
PNG
(CHEMBL109085)
Show SMILES Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Show InChI InChI=1S/C19H18O3/c1-12-5-4-6-15(9-12)11-21-16-7-8-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409112
PNG
(CHEMBL109084)
Show SMILES Cc1c(C)c(=O)oc2cc(OCCc3ccccc3)ccc12
Show InChI InChI=1S/C19H18O3/c1-13-14(2)19(20)22-18-12-16(8-9-17(13)18)21-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409094
PNG
(CHEMBL107488)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(O)c3)ccc12
Show InChI InChI=1S/C18H16O4/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9,19H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50611773
PNG
(CHEMBL5290626)
Show SMILES O=c1ccoc2ccc(Oc3ccccc3)cc12
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409081
PNG
(CHEMBL111309)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C18H16O3/c1-12-13(2)18(19)21-17-10-15(8-9-16(12)17)20-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50611774
PNG
(CHEMBL5271985)
Show SMILES Cc1cc(=O)c2cc(Oc3ccccc3)ccc2o1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409082
PNG
(CHEMBL107541)
Show SMILES Cc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1
Show InChI InChI=1S/C19H18O3/c1-12-6-4-5-7-15(12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409109
PNG
(CHEMBL108928)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cc(F)cc(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-15(3-4-16(10)17)22-9-12-5-13(19)7-14(20)6-12/h3-8H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50282510
PNG
(7-(4-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409078
PNG
(CHEMBL325761)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)c(F)c3)ccc12
Show InChI InChI=1S/C18H14F2O3/c1-10-11(2)18(21)23-17-8-13(4-5-14(10)17)22-9-12-3-6-15(19)16(20)7-12/h3-8H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50282502
PNG
(7-(4-Fluoro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3ccc(F)cc3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50282514
PNG
(3,4-dimethyl-7-(4-methyl-benzyloxy)-chromen-2-one ...)
Show SMILES Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1
Show InChI InChI=1S/C19H18O3/c1-12-4-6-15(7-5-12)11-21-16-8-9-17-13(2)14(3)19(20)22-18(17)10-16/h4-10H,11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50231957
PNG
(7-(3-Chloro-benzyloxy)-3,4-dimethyl-chromen-2-one ...)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Show InChI InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409097
PNG
(CHEMBL108697)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(F)c3)ccc12
Show InChI InChI=1S/C18H15FO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409069
PNG
(CHEMBL320251)
Show SMILES Cc1c(C)c(=O)oc2cc(OCc3cccc(N)c3)ccc12
Show InChI InChI=1S/C18H17NO3/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9H,10,19H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50409093
PNG
(CHEMBL111310)
Show SMILES COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1
Show InChI InChI=1S/C19H18O4/c1-12-13(2)19(20)23-18-10-16(7-8-17(12)18)22-11-14-5-4-6-15(9-14)21-3/h4-10H,11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM50217942
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
n/an/a 3.89E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50611772
PNG
(CHEMBL5281685)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc3OC([C@@H](c23)c2cc(O)cc(O)c2)c2ccc(O)cc2)cc1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50029815
PNG
(3-[5-(4-Benzyloxy-phenyl)-tetrazol-2-yl]-propionit...)
Show SMILES N#CCCn1nnc(n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H15N5O/c18-11-4-12-22-20-17(19-21-22)15-7-9-16(10-8-15)23-13-14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50029835
PNG
(3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl...)
Show SMILES Clc1cccc(COc2ccc(cc2)-c2nnn(CCC#N)n2)c1
Show InChI InChI=1S/C17H14ClN5O/c18-15-4-1-3-13(11-15)12-24-16-7-5-14(6-8-16)17-20-22-23(21-17)10-2-9-19/h1,3-8,11H,2,10,12H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
n/an/a 8.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 60 total )  |  Next  |  Last  >>
Jump to: