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BDBM50107995 5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d]pyrimidine-2,4-diamine::6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE::CHEMBL151958

SMILES: Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12

InChI Key: InChIKey=KMSATRJZEXNGDP-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50107995   
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
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107995
PNG
(5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d...)
Show SMILES Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
PubMed
n/an/a 0.980n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107995
PNG
(5-Methyl-6-(quinolin-5-ylaminomethyl)-pyrido[2,3-d...)
Show SMILES Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C18H17N7/c1-10-11(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-6-2-5-13-12(14)4-3-7-21-13/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against human dihydrofolate reductase (hDHFR)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)