BDBM50362871 CHEMBL1940588

SMILES: C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1

InChI Key: InChIKey=POVCGZXXAPOAIT-OGLIIGCHSA-N

Data: 3 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 3 hits for monomerid = 50362871   

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
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50362871 (CHEMBL1940588) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Displacement of [3H]arginine-vasopressin from human Vasopressin V1a receptor after 30 mins by liquid scintillation counter				Bioorg Med Chem 20: 1337-45 (2012) Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50362871 (CHEMBL1940588) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity to human V1b receptor				Bioorg Med Chem 20: 1337-45 (2012) Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50362871 (CHEMBL1940588) Show SMILES C[C@@H](NC(=O)[C@@H](CC(=O)N1CCC(CC1)N1CCCCC1)N1[C@H](\C=C\c2cccc(C)c2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)c1ccccc1 |r| Show InChI InChI=1S/C43H51N5O5/c1-30-13-12-14-32(27-30)19-20-36-40(48-38(29-53-43(48)52)34-17-8-4-9-18-34)42(51)47(36)37(41(50)44-31(2)33-15-6-3-7-16-33)28-39(49)46-25-21-35(22-26-46)45-23-10-5-11-24-45/h3-4,6-9,12-20,27,31,35-38,40H,5,10-11,21-26,28-29H2,1-2H3,(H,44,50)/b20-19+/t31-,36-,37-,38-,40+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lehigh University Curated by ChEMBL					Assay Description Binding affinity to human vasopressin V2 receptor				Bioorg Med Chem 20: 1337-45 (2012) Article DOI: 10.1016/j.bmc.2011.12.013 BindingDB Entry DOI: 10.7270/Q2KD1ZCX
					More data for this Ligand-Target Pair