BDBM50145115 (2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(carbamoylmethyl)-10-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide::CHEMBL216614

SMILES: NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1

InChI Key: InChIKey=CWXIBRHYIKQLIU-SQNVFMSKSA-N

Data: 4 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 4 hits for monomerid = 50145115   

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 V1b receptor (Homo sapiens (Human))	BDBM50145115 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H61N13O12S2/c45-34(60)20-30-40(66)56-32(43(69)57-16-5-9-33(57)42(68)52-27(8-4-15-49-44(47)48)37(63)50-21-35(46)61)23-71-70-17-14-36(62)51-28(19-25-10-12-26(59)13-11-25)38(64)53-29(18-24-6-2-1-3-7-24)39(65)55-31(22-58)41(67)54-30/h1-3,6-7,10-13,27-33,58-59H,4-5,8-9,14-23H2,(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t27-,28-,29+,30+,31?,32+,33+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50145115 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H61N13O12S2/c45-34(60)20-30-40(66)56-32(43(69)57-16-5-9-33(57)42(68)52-27(8-4-15-49-44(47)48)37(63)50-21-35(46)61)23-71-70-17-14-36(62)51-28(19-25-10-12-26(59)13-11-25)38(64)53-29(18-24-6-2-1-3-7-24)39(65)55-31(22-58)41(67)54-30/h1-3,6-7,10-13,27-33,58-59H,4-5,8-9,14-23H2,(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t27-,28-,29+,30+,31?,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT recepto...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50145115 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H61N13O12S2/c45-34(60)20-30-40(66)56-32(43(69)57-16-5-9-33(57)42(68)52-27(8-4-15-49-44(47)48)37(63)50-21-35(46)61)23-71-70-17-14-36(62)51-28(19-25-10-12-26(59)13-11-25)38(64)53-29(18-24-6-2-1-3-7-24)39(65)55-31(22-58)41(67)54-30/h1-3,6-7,10-13,27-33,58-59H,4-5,8-9,14-23H2,(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t27-,28-,29+,30+,31?,32+,33+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptor...				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50145115 ((2S)-2-{[(2R)-1-{[(4S,7R,13R,16S)-13-benzyl-7-(car...) Show SMILES NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NC(CO)C(=O)N[C@H](CC(N)=O)C(=O)N1 Show InChI InChI=1S/C44H61N13O12S2/c45-34(60)20-30-40(66)56-32(43(69)57-16-5-9-33(57)42(68)52-27(8-4-15-49-44(47)48)37(63)50-21-35(46)61)23-71-70-17-14-36(62)51-28(19-25-10-12-26(59)13-11-25)38(64)53-29(18-24-6-2-1-3-7-24)39(65)55-31(22-58)41(67)54-30/h1-3,6-7,10-13,27-33,58-59H,4-5,8-9,14-23H2,(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,68)(H,53,64)(H,54,67)(H,55,65)(H,56,66)(H4,47,48,49)/t27-,28-,29+,30+,31?,32+,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Binding affinity against human oxytocin receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors				J Med Chem 47: 2375-88 (2004) Article DOI: 10.1021/jm030611c BindingDB Entry DOI: 10.7270/Q2GF0V8C
					More data for this Ligand-Target Pair