BDBM50368130 CHEMBL1790551

SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O

InChI Key: InChIKey=XZXMFHPEUMXKID-MZNYQVFTSA-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 = 50368130   

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)	BDBM50368130 (CHEMBL1790551) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57| Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against oxytocin receptor in rat uterus				J Med Chem 33: 2321-3 (1990) BindingDB Entry DOI: 10.7270/Q2F76D60
					More data for this Ligand-Target Pair
Vasopressin receptor (Rattus norvegicus (Rat))	BDBM50368130 (CHEMBL1790551) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57| Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Vasopressin receptor in rat liver				J Med Chem 33: 2321-3 (1990) BindingDB Entry DOI: 10.7270/Q2F76D60
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50368130 (CHEMBL1790551) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O |c:48,57| Show InChI InChI=1S/C43H57N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,26,28,31-37H,6,13-14,19-20,22-25,27H2,1-5H3,(H,46,54)(H,47,53)/t28-,31-,32-,33+,34-,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Vasopressin receptor in rat kidney medulla				J Med Chem 33: 2321-3 (1990) BindingDB Entry DOI: 10.7270/Q2F76D60
					More data for this Ligand-Target Pair