BDBM50342033 2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-hydroxybenzyl)-10-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamido)-6-(11-aminoundecanamido)hexanamido)acetic acid::CHEMBL1765668

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O

InChI Key: InChIKey=NBLUMDFJQQALBR-DRODSASKSA-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 = 50342033   

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))	BDBM50342033 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1b receptor expressed CHO cells after 60 mins				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50342033 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human oxytocin receptor expressed CHO cells after 60 mins				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50342033 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	384	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V1a receptor expressed CHO cells after 60 mins				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50342033 (2-((S)-2-((S)-1-((4R,7S,10S,13S,16S)-7-(2-amino-2-...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C58H87N11O13S2/c1-37(2)31-42-53(77)67-45(34-48(60)71)56(80)68-46(36-84-83-30-26-50(73)63-43(33-39-22-24-40(70)25-23-39)54(78)66-44(55(79)65-42)32-38-17-10-9-11-18-38)58(82)69-29-16-20-47(69)57(81)64-41(52(76)62-35-51(74)75)19-13-15-28-61-49(72)21-12-7-5-3-4-6-8-14-27-59/h9-11,17-18,22-25,37,41-47,70H,3-8,12-16,19-21,26-36,59H2,1-2H3,(H2,60,71)(H,61,72)(H,62,76)(H,63,73)(H,64,81)(H,65,79)(H,66,78)(H,67,77)(H,68,80)(H,74,75)/t41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins				J Med Chem 54: 2864-77 (2011) Article DOI: 10.1021/jm1016208 BindingDB Entry DOI: 10.7270/Q23B60GJ
					More data for this Ligand-Target Pair