BDBM50418929 CHEMBL1807272

SMILES: CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1

InChI Key: InChIKey=SRXZYOHFALAFAK-TWJOJJKGSA-N

Data: 2 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 2 hits for monomerid = 50418929   

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))	BDBM50418929 (CHEMBL1807272) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1 |r,wU:6.9,12.22,wD:3.2,(27.45,1.1,;26.1,1.87,;26.1,3.43,;24.76,1.09,;23.43,1.85,;22.1,1.08,;22.12,-.45,;23.44,-1.21,;24.76,-.44,;20.8,-1.22,;19.47,-.46,;19.46,1.08,;18.14,-1.23,;18.14,-2.77,;16.81,-3.55,;15.48,-2.78,;14.15,-3.55,;14.16,-5.1,;12.83,-5.87,;15.5,-5.86,;16.83,-5.08,;16.8,-.47,;16.8,1.07,;18.12,1.84,;15.46,1.83,;16.71,2.75,;16.22,4.23,;14.67,4.22,;14.19,2.74,;14.13,1.06,;12.79,1.82,;11.47,1.05,;11.47,-.49,;10.13,-1.26,;12.8,-1.26,;14.13,-.49,)| Show InChI InChI=1S/C29H37ClFN3O2/c1-34(2)25-15-13-24(14-16-25)32-27(35)26(19-20-5-9-22(30)10-6-20)33-28(36)29(17-3-4-18-29)21-7-11-23(31)12-8-21/h5-12,24-26H,3-4,13-19H2,1-2H3,(H,32,35)(H,33,36)/t24-,25-,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 4622-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.092 BindingDB Entry DOI: 10.7270/Q20866KR
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50418929 (CHEMBL1807272) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CCCC1)c1ccc(F)cc1 |r,wU:6.9,12.22,wD:3.2,(27.45,1.1,;26.1,1.87,;26.1,3.43,;24.76,1.09,;23.43,1.85,;22.1,1.08,;22.12,-.45,;23.44,-1.21,;24.76,-.44,;20.8,-1.22,;19.47,-.46,;19.46,1.08,;18.14,-1.23,;18.14,-2.77,;16.81,-3.55,;15.48,-2.78,;14.15,-3.55,;14.16,-5.1,;12.83,-5.87,;15.5,-5.86,;16.83,-5.08,;16.8,-.47,;16.8,1.07,;18.12,1.84,;15.46,1.83,;16.71,2.75,;16.22,4.23,;14.67,4.22,;14.19,2.74,;14.13,1.06,;12.79,1.82,;11.47,1.05,;11.47,-.49,;10.13,-1.26,;12.8,-1.26,;14.13,-.49,)| Show InChI InChI=1S/C29H37ClFN3O2/c1-34(2)25-15-13-24(14-16-25)32-27(35)26(19-20-5-9-22(30)10-6-20)33-28(36)29(17-3-4-18-29)21-7-11-23(31)12-8-21/h5-12,24-26H,3-4,13-19H2,1-2H3,(H,32,35)(H,33,36)/t24-,25-,26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 4622-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.092 BindingDB Entry DOI: 10.7270/Q20866KR
					More data for this Ligand-Target Pair