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BDBM302889 1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-4- fluoropyrrolidin-1-yl)- 2-oxoethyl)-5- (pyrimidin-5- ylamino)-1H- indazole-3- carboxamide::US10660876, Cmpd No. 12::US9598446, Compound 12

SMILES: NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(Nc3cncnc3)cc12

InChI Key: InChIKey=HYNKZTKMOWBTPY-ACJLOTCBSA-N

Data: 2 IC50

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 = 302889   
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
Complement factor D


(Homo sapiens (Human))
BDBM302889
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C24H21ClFN9O3/c25-19-2-1-3-20(31-19)32-24(38)18-6-13(26)10-34(18)21(36)11-35-17-5-4-14(30-15-8-28-12-29-9-15)7-16(17)22(33-35)23(27)37/h1-5,7-9,12-13,18,30H,6,10-11H2,(H2,27,37)(H,31,32,38)/t13-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

US Patent


Assay Description
Human Factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US10660876 (2020)

More data for this
Ligand-Target Pair
Complement factor D


(Homo sapiens (Human))
BDBM302889
PNG
(1-(2-((2S,4R)-2-(6- chloropyridin-2- ylcarbamoyl)-...)
Show SMILES NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Cl)n2)c2ccc(Nc3cncnc3)cc12 |r|
Show InChI InChI=1S/C24H21ClFN9O3/c25-19-2-1-3-20(31-19)32-24(38)18-6-13(26)10-34(18)21(36)11-35-17-5-4-14(30-15-8-28-12-29-9-15)7-16(17)22(33-35)23(27)37/h1-5,7-9,12-13,18,30H,6,10-11H2,(H2,27,37)(H,31,32,38)/t13-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



ACHILLION PHARMACEUTICALS, INC.

US Patent


Assay Description
Human factor D (purified from human serum, Complement Technology, Inc.) at 80 nM final concentration is incubated with test compound at various conce...


US Patent US9598446 (2017)


BindingDB Entry DOI: 10.7270/Q2ST7RWF
More data for this
Ligand-Target Pair