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BDBM40774 Carbinol, 18b

SMILES: OC(C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12

InChI Key: InChIKey=NNOFYWJFSHHUJW-WMCZYUTASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40774   
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
HIV-1 protease


(Human immunodeficiency virus)		BDBM40774
PNG
(Carbinol, 18b)
Show SMILES OC(C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 |r|
Show InChI InChI=1S/C39H42N2O5/c42-31(21-29(19-25-11-3-1-4-12-25)38(45)40-36-32-17-9-7-15-27(32)23-34(36)43)22-30(20-26-13-5-2-6-14-26)39(46)41-37-33-18-10-8-16-28(33)24-35(37)44/h1-18,29-31,34-37,42-44H,19-24H2,(H,40,45)(H,41,46)/t29-,30-,31?,34?,35?,36?,37?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.80n/an/an/an/an/an/an/an/a



State University of New York



Assay Description
Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.

Chem Biol 8: 1161-6 (2001)


Article DOI: 10.1016/S1074-5521(01)00079-5
BindingDB Entry DOI: 10.7270/Q20V8B63
More data for this
Ligand-Target Pair