BDBM50418372 CHEMBL1774022

SMILES: CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=YHMAMSIULQZZNV-UEQSERJNSA-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 = 50418372   

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))	BDBM50418372 (CHEMBL1774022) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H31Cl2N3O2/c1-32-22-10-11-23(32)16-21(15-22)30-25(33)24(14-17-2-6-19(28)7-3-17)31-26(34)27(12-13-27)18-4-8-20(29)9-5-18/h2-9,21-24H,10-16H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66	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: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50418372 (CHEMBL1774022) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1 |r,TLB:0:1:4.3:7.6.8| Show InChI InChI=1S/C27H31Cl2N3O2/c1-32-22-10-11-23(32)16-21(15-22)30-25(33)24(14-17-2-6-19(28)7-3-17)31-26(34)27(12-13-27)18-4-8-20(29)9-5-18/h2-9,21-24H,10-16H2,1H3,(H,30,33)(H,31,34)/t21-,22+,23-,24-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.0	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: 3163-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.096 BindingDB Entry DOI: 10.7270/Q2K64KB0
					More data for this Ligand-Target Pair