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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Calcium channel' and Ligand = 'BDBM82057'   
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
Calcium channel


(RAT)
BDBM82057
PNG
(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
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2.40n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82057
PNG
(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
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9.10n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82057
PNG
(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
PDB

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PubMed
45.5n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM82057
PNG
(CAS_107928 | CAS_65832 | D888,(+) | D888,(-) | NSC...)
Show SMILES COc1cccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Patents

PubMed
54.2n/an/an/an/an/an/an/an/a



Johns Hopkins University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 237: 731-8 (1986)

More data for this
Ligand-Target Pair