Found 4 hits Enz. Inhib. hit(s) with Target = 'Protachykinin-1' and Ligand = 'BDBM81942' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Protachykinin-1
(MOUSE) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
UniProtKB/SwissProt
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Similars
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this Ligand-Target Pair | |
Protachykinin-1
(RAT) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this Ligand-Target Pair | |
Protachykinin-1
(MOUSE) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this Ligand-Target Pair | |
Protachykinin-1
(RAT) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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PC cid PC sid UniChem
Similars
| PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this Ligand-Target Pair | |