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BDBM50537640 CHEMBL4637484

SMILES: Clc1cccc(c1)N(CC(=O)N[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O)S(=O)(=O)c1cccnc1

InChI Key: InChIKey=BLLNFHQHPKRASN-MXVIHJGJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50537640   
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
Sepiapterin reductase (SPR)


(Homo sapiens (Human))		BDBM50537640
PNG
(CHEMBL4637484)
Show SMILES Clc1cccc(c1)N(CC(=O)N[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O)S(=O)(=O)c1cccnc1 |r,wU:12.12,wD:15.19,(52.18,-10.93,;52.18,-9.39,;50.83,-8.62,;50.83,-7.08,;52.16,-6.31,;53.5,-7.08,;53.5,-8.62,;54.83,-6.31,;56.17,-7.08,;57.5,-6.3,;57.5,-4.76,;58.83,-7.08,;60.16,-6.3,;60.16,-4.76,;61.49,-3.99,;62.82,-4.76,;62.82,-6.3,;61.49,-7.07,;64.16,-4,;65.56,-4.61,;66.03,-6.08,;67.53,-6.4,;68.57,-5.25,;68.09,-3.79,;66.6,-3.48,;65.83,-2.14,;64.32,-2.46,;63.18,-1.43,;54.82,-4.76,;55.58,-3.42,;56.36,-4.75,;53.49,-4,;52.17,-4.77,;50.83,-4.01,;50.83,-2.47,;52.16,-1.69,;53.5,-2.46,)|
Show InChI InChI=1S/C26H26ClN5O4S/c27-18-5-3-6-21(15-18)31(37(35,36)22-7-4-14-28-16-22)17-25(33)29-19-10-12-20(13-11-19)32-24-9-2-1-8-23(24)30-26(32)34/h1-9,14-16,19-20H,10-13,17H2,(H,29,33)(H,30,34)/t19-,20-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.12E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1007/s00044-008-9094-3
BindingDB Entry DOI: 10.7270/Q2Z89G99
More data for this
Ligand-Target Pair