BDBM81895 Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-didehydro-L-Pyz-N-methyl-L-Phe-]::J325.338D::L-365,209

SMILES: CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O

InChI Key: InChIKey=IFHSSGUGRIXWQU-HGWQXCOYSA-N

Data: 6 KI

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 6 hits for monomerid = 81895   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Oxytocin receptor (RAT)	BDBM81895 (Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-di...) Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 304-8 (1991) BindingDB Entry DOI: 10.7270/Q2028Q1G
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM81895 (Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-di...) Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 304-8 (1991) BindingDB Entry DOI: 10.7270/Q2028Q1G
					More data for this Ligand-Target Pair
OXTR (Rhesus)	BDBM81895 (Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-di...) Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 304-8 (1991) BindingDB Entry DOI: 10.7270/Q2028Q1G
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM81895 (Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-di...) Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 304-8 (1991) BindingDB Entry DOI: 10.7270/Q2028Q1G
					More data for this Ligand-Target Pair
VASOPRESSIN V1 (RAT)	BDBM81895 (Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-di...) Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1	GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 304-8 (1991) BindingDB Entry DOI: 10.7270/Q2028Q1G
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM81895 (Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-di...) Show SMILES CCC(C)C1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |wU:8.8,46.55,wD:26.28,19.24,38.46,c:44,53,(3.12,-16.88,;2.34,-15.35,;.78,-14.1,;.78,-15.49,;.62,-12.72,;.52,-11.33,;.52,-9.95,;1.56,-11.19,;.78,-8.56,;1.56,-9.81,;2.6,-10.95,;1.87,-12.58,;3.9,-13.72,;5.46,-15.25,;5.46,-13.86,;3.12,-12.34,;.52,-7.17,;1.04,-5.65,;1.56,-7.03,;1.56,-4.26,;1.73,-5.41,;.35,-5.79,;.52,-4.4,;.62,-3.01,;.78,-1.63,;1.87,-2.88,;3.12,,;3.9,-1.25,;5.61,-3.01,;4.68,-4.4,;5.2,-5.54,;5.72,-7.03,;5.89,-5.79,;5.72,-4.26,;2.34,-1.49,;4.37,-2.77,;3.12,-2.63,;3.64,-4.16,;2.6,-4.02,;3.81,-5.65,;4.68,-7.17,;5.46,-8.32,;3.64,-6.93,;3.12,-5.79,;2.6,-6.79,;3.9,-8.18,;2.34,-8.42,;4.68,-9.95,;5.72,-11.19,;5.61,-12.72,;4.68,-11.33,;3.64,-9.7,;3.64,-11.09,;4.37,-12.48,)| Show InChI InChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 256: 304-8 (1991) BindingDB Entry DOI: 10.7270/Q2028Q1G
					More data for this Ligand-Target Pair