null

SMILES: COc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@H]2CC[C@@H](CC2)N(C)C)cc1

InChI Key: InChIKey=VTPSMJSGADIFSS-VDKIKQQVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50418908   

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))	BDBM50418908 (CHEMBL1807268) Show SMILES COc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@H]2CC[C@@H](CC2)N(C)C)cc1 |r,wU:24.25,7.7,wD:27.32,(14.38,-24.59,;15.73,-25.36,;17.08,-24.58,;17.07,-23.04,;18.4,-22.26,;19.73,-23.03,;21.06,-22.26,;21.06,-20.72,;19.72,-19.95,;19.72,-18.41,;21.04,-17.64,;18.38,-17.65,;19.15,-16.29,;17.59,-16.3,;17.05,-18.42,;15.71,-17.66,;14.38,-18.43,;14.38,-19.97,;13.05,-20.74,;15.71,-20.74,;17.05,-19.97,;22.39,-19.94,;22.38,-18.4,;23.72,-20.71,;25.04,-19.93,;25.02,-18.4,;26.35,-17.63,;27.68,-18.39,;27.68,-19.92,;26.37,-20.69,;29.03,-17.61,;30.38,-18.38,;29.02,-16.05,;19.75,-24.57,;18.42,-25.35,)| Show InChI InChI=1S/C28H36ClN3O3/c1-32(2)23-12-10-22(11-13-23)30-26(33)25(18-19-4-14-24(35-3)15-5-19)31-27(34)28(16-17-28)20-6-8-21(29)9-7-20/h4-9,14-15,22-23,25H,10-13,16-18H2,1-3H3,(H,30,33)(H,31,34)/t22-,23-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.525	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)	BDBM50418908 (CHEMBL1807268) Show SMILES COc1ccc(C[C@@H](NC(=O)C2(CC2)c2ccc(Cl)cc2)C(=O)N[C@H]2CC[C@@H](CC2)N(C)C)cc1 |r,wU:24.25,7.7,wD:27.32,(14.38,-24.59,;15.73,-25.36,;17.08,-24.58,;17.07,-23.04,;18.4,-22.26,;19.73,-23.03,;21.06,-22.26,;21.06,-20.72,;19.72,-19.95,;19.72,-18.41,;21.04,-17.64,;18.38,-17.65,;19.15,-16.29,;17.59,-16.3,;17.05,-18.42,;15.71,-17.66,;14.38,-18.43,;14.38,-19.97,;13.05,-20.74,;15.71,-20.74,;17.05,-19.97,;22.39,-19.94,;22.38,-18.4,;23.72,-20.71,;25.04,-19.93,;25.02,-18.4,;26.35,-17.63,;27.68,-18.39,;27.68,-19.92,;26.37,-20.69,;29.03,-17.61,;30.38,-18.38,;29.02,-16.05,;19.75,-24.57,;18.42,-25.35,)| Show InChI InChI=1S/C28H36ClN3O3/c1-32(2)23-12-10-22(11-13-23)30-26(33)25(18-19-4-14-24(35-3)15-5-19)31-27(34)28(16-17-28)20-6-8-21(29)9-7-20/h4-9,14-15,22-23,25H,10-13,16-18H2,1-3H3,(H,30,33)(H,31,34)/t22-,23-,25-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.8	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